|
TCMBANKIN000004 |
quercetagetin |
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- (9CI); 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-chromenone; 3,3',4',5,6,7-Hexahydroxyflavone; NSC115916; 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone; Quercetagetin; C10122; 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-chromen-4-one; Bitalosidin; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one; 90-18-6; NSC 115916; AIDS-001410; SCHEMBL12470189; AIDS001410; 3,3′,4′,5,6,7-Hexahydroxyflavone; MYU; Flavone, 3,3',4',5,6,7-hexahydroxy- (8CI); LMPK12111482; 3,3'4,5,6,7-hexOH-Flavone; 3',4',5,6,7,8-Hexahydroxyflavone; 3,5,6,7-Tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one; 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-chromen-4-one; Flavone, 3,3',4',5,6,7-hexahydroxy-; Bitalgenin; EINECS 201-973-6; ST5331681; 6-Hydroxyquercetin; 5,6,7,8,3',4'-Hexahydroxyflavone; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- |
C15H10O8 |
318.24 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O |
|
TCMBANKIN000028 |
coumarin |
KBio3_002764; HSDB 1623; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=CC(=O)O2 |
|
TCMBANKIN000053 |
stachydrine |
dimethylproline; (-)-Stachydrine; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; 104622-EP2301932A1; AJ-38211; (2S)-1,1-DIMETHYL-1??-PYRROLIDINE-2-CARBOXYLIC ACID; Prestwick2_000622; SR-05000002246; SCHEMBL578113; (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid; BPBio1_000644; 1sw1; 2b4m; Prestwick1_000622; ZINC2528042; SPBio_002803; stachy-drine; BSPBio_000584; SC-20792; AC1L9LTA; CHEBI:44813; Prestwick0_000622; N,N-dimethyl-L-prolinium; 1,1-DIMETHYL-PROLINIUM; SR-05000002246-2; Prestwick3_000622 |
C7H13NO2 |
143.18 g/mol |
C[N+]1(CCCC1C(=O)[O-])C |
|
TCMBANKIN000058 |
eupatilin |
CHEMBL312750; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one; 5,7-dihydroxy-6,3',4'-trimethoxyflavone; BDBM50060926; NSC 122413; AN-1042; I14-9713; ZINC6018691; AC1NRVK5; AB0035696; eupatilin ; AC-7926; D06GCK; 5,7-Dihydroxy-3',4',6-trimethoxyflavone; Euptailin; MFCD13194819; 5,7-dihydroxy-3',4',6-trimethoxy flavone; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4-chromenone; AM84796; CHEBI:4932; LMPK12111228; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-; 22368-21-4; 2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one; Eupatilin; DTXSID30176904; FT-0686610; C10040; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one; API0006416; Eupatilin, >=98% (HPLC); N2159; HY-N0783; EBD1182; SCHEMBL1033509; DRRWBCNQOKKKOL-UHFFFAOYSA-N; CS-5407; AKOS015917432; SC-72880; AIDS225181; AIDS-225181; 5,7-dihydroxy-3',4',6-trimethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one, 9CI; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-chromone; 4D58O05490; NSC122413; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one #; UNII-4D58O05490; 3.68E+216; MolPort-008-155-866; ACN-035220; 5,7-dihydroxy-3',4', 6-trimethoxyflavone; Y0079 |
C18H16O7 |
344.32 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC |
|
TCMBANKIN000081 |
dehydrocostus lactone |
dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 |
C15H18O2 |
230.3 |
C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN000088 |
cryptotanshinone |
NCI60_031208; CTS; 4733-35-1; A822990; C19H22O3; ZINC02109876; SMR000387041; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g][1]benzoxole-10,11-dione; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-quinone; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; NCGC00163650-01; BB_NC-1574; Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-; MolPort-006-823-903; (1R)-1,6,6-trimethyl-1,2,3a,6,7,8,9,11a-octahydrophenanthro[1,2-b]furan-10,11-dione; MLS001049002; 35825-57-1; DTXSID0044072; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-dione; (-)-Cryptotanshinone; Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; SPECTRUM1505812 |
C19H20O3 |
296.36 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
TCMBANKIN000097 |
nitidine |
I14-18057; CHEMBL176008; 6872-57-7; 933301178Z; NCI60_000995; CTK5C8373; CHEBI:7578; FT-0686666; ZINC898732; SCHEMBL8014101; C09595; AK608233; 2,3-Dimethoxy-12-methyl-9H-phenanthridino[4',3'-2,1]benzo[4,5-d]1,3-dioxolane; N2626; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1(13),2(10),3,8,11,14(19),15,17,20-NONAEN-21-IUM; Nitidine; Nitidine chloride; AKOS015904022; NCIMech_000542; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-; 13063-04-2 (CHLORIDE); Ambap13063-04-2; AJ-24283; AC1L1IB4; broussopapyrine A; UNII-933301178Z; ZB015155; CCG-35985; DTXSID60218846; [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-; AC1Q701O; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; Neuro_000081; BDBM50017566 |
C21H18NO4+ |
348.4 g/mol |
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
|
TCMBANKIN000102 |
petunidin |
Petunidin 3-O-beta-D-sambubioside; Petunidin 3-sambubioside; petunidin 3-rhamnoglucoside_qt; Petunidin 3-(2-xylosylglucoside); LMPK12010363; petunidin |
C16H13O7+ |
317.27 g/mol |
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
|
TCMBANKIN000104 |
Perillyl alcohol |
77311_FLUKA; (S)-(-)-Perillyl alcohol; [(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol; perillyl alcohol; p-Mentha-1,8-diene-7-ol; NCI60_013758; LMPR01020028; (S)-4-Isopropenyl-1-cyclohexenylmethanol; W266418_ALDRICH; (S)-p-Mentha-1,8-dien-7-ol; [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H; [(4S)-4-isopropenyl-1-cyclohexenyl]methanol; 18457-55-1; Perillic alcohol; (-)-Perillyl alcohol; (−)-Perillyl alcohol; C02452; (S)-(−)-Perillyl alcohol; perillyl alcohol ; CHEBI:10782; NSC641066; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); ZINC03861538; 218391_ALDRICH; p-Mentha-1,8-dien-7-ol; (-)-Perillylalcohol |
C10H16O |
152.23 |
CC(=C)C1CCC(=CC1)CO |
|
TCMBANKIN000112 |
yohimbine |
Prestwick2_000584; 146-48-5; InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12?,15?,17?,18-,19+/m0/s; (16alpha,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester; KBio3_001032; Prestwick1_000584; Yohimbic acid methyl ester; 4-25-00-01237 (Beilstein Handbook Reference); IDI1_002213; Lopac0_001210; (+)-Yohimbine; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI); BRN 0097276; Johimbin; 146-48-5 (FREE BASE); Yohimbine; Bio1_001433; Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester; Corynine; 17-Hydroxy-yohimbane-16-carboxylic acid methyl ester; Bio1_000455; KBio3_001031; C09256; BSPBio_000428; 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester; KBio2_005712; Aphrosol; Bio2_000938; 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester; KBioSS_000576; KBio2_000576; (+)-Yohimbin; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.; Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester; SMP1_000320; Yohimbol-16alpha-carboxylic acid, methyl ester (6CI); BCBcMAP01_000032; Quebrachine; KBio2_003144; BB_NC-1430; CHEBI:10093; Prestwick0_000584; EINECS 205-672-0; AIDS011945; Prestwick3_000584; 17-Hydroxyyohimban-16-carboxylic acid methyl ester; methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate; Yohimbin; Bio2_000458; KBioGR_000576; NSC19509 (HCL); BSPBio_001236; AIDS-011945; 65-19-0 (HCL); Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI); trans-Quinolizidine yohimbine; Quebrachin; (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-; nchembio705-2; Bio1_000944; methyl 17alpha-hydroxyyohimban-16alpha-carboxylate; BPBio1_000472; APHRODINE; SPBio_002647 |
C21H26N2O3 |
354.44 |
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
|
TCMBANKIN000119 |
asperglaucide |
Asperglaucide; aurentiamide acetate; aurantiamide acetate |
C27H28N2O4 |
444.52 |
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
|
TCMBANKIN000132 |
Schkuhrin I |
AC1O5MGC; Hiyodorilactone A; NSC 311052; schkuhrin i; 38458-58-1; [(6Z,10Z)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; Eucannabinolide; 2-Butanoic acid, 4-hydroxy-2-(hydroxymethyl)-, 9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR*,4S*(E),6E,9S*,10Z,11aR*)- |
C22H28O8 |
420.5 g/mol |
CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C |
|
TCMBANKIN000137 |
1-Methoxyphaseollidin |
AIDS-096030; AIDS096030; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromene-3,9-diol; (6aR,11aR)-1-Methoxy-10-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofurano[3,2-c]chromene-3,9-diol |
C21H22O5 |
354.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C |
|
TCMBANKIN000229 |
7-METHYL-6-TRIDECENE |
24949-42-6; 6-Tridecene, 7-methyl-; (6E)-7-Methyl-6-tridecene; (E)-7-methyltridec-6-ene |
C14H28 |
196.37 |
CCCCCCC(=CCCCCC)C |
|
TCMBANKIN000236 |
3-Methyl-6-(1-methylethyl)-cyclohexene |
|
C10H18 |
138.25 |
CC1CCC(C=C1)C(C)C |
|
TCMBANKIN000244 |
CPI |
C00408; (S)-(-)-pipecolic acid; L-pipecolate ester; (2S)-piperidine-2-carboxylic acid; L-(-)-pipecolic acid; (S)-pipecolic acid; 6-CARBOXYPIPERIDINE; Pipecolic acid; P2519_SIGMA; (2S)-2-piperidinecarboxylic acid; 2-Piperidinecarboxylic acid; L-pipecolate esters; (2S)-pipecolinic acid; Pipecolinic acid; CHEBI:30913; (S)-(−)-2-Piperidinecarboxylic acid; SBB006732; CHEBI:46876; (S)-piperidine-2-carboxylic acid; L-Homoproline |
C6H11NO2 |
129.16 |
CC(C)(C(=O)OC)[N+]#[C-] |
|
TCMBANKIN000288 |
(1R,2R,4R)-Dihydrocarveol |
(1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol; LMPR01020079; (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; (1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol; (−)-Dihydrocarveol; C11396; (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol; 37278_FLUKA; (1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN000300 |
Mukurozioside I_qt |
mukurozioside Ib_qt; mukurozioside Iib_qt; Mukurozioside Ⅱb_qt |
C51H86O28 |
1147.21 |
|
|
TCMBANKIN000313 |
2-Octenyl acetate |
[(E)-oct-2-enyl] acetate; Oct-2-enyl acetate; FEMA No. 3516; 2-Octen-1-yl acetate; EINECS 219-140-0; 2-Octenyl acetate, (E)-; trans-2-Octen-1-yl acetate; E-2-Octenyl acetate; 2-Octen-1-yl acetate, trans-; AI3-34407; acetic acid [(E)-oct-2-enyl] ester; (E)-Oct-2-enyl acetate; 2-Octen-1-ol, acetate, (E)-; 3913-80-2; 2-Octen-1-ol, acetate; 2-Octenyl acetate, trans-; [(E)-oct-2-enyl] ethanoate; EINECS 223-473-7; 2371-13-3 |
C10H18O2 |
170.25 |
CCCCCC=CCOC(=O)C |
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
TCMBANKIN000405 |
1,5-diethyl-2,3-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN000427 |
VIV |
T1539_SIGMA; NSC 82623; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol; (+-)-alpha-Tocopherol; BRN 0094012; 5,7,8-Trimethyltocol; (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-; T3634_SIGMA; Prestwick_653; 10191-41-0; 59-02-9; Pheryl-E; 1406-18-4; SMR000471844; Ephanyl; MLS001066396; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; nchembio730-comp13; 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; Vita plus E; CCRIS 5853; (+)-alpha-Tocopherol; CHEBI:18145; 25094-97-7; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI); 16826-11-2; BPBio1_000362; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol; Tocopherol (R,S); EINECS 215-798-8; ZINC04095858; Prestwick3_000404; LMPR02020001; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-; C02477; AIDS-072178; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; 89550_FLUKA; Vitamin E; NCGC00142625-01; ST073358; 5-17-04-00168 (Beilstein Handbook Reference); 4072-33-7; 181591-70-8; alpha-Tocopherol; NCGC00142625-04; BSPBio_000328; NCGC00142625-03; (+-)-Med-E; (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; EINECS 218-197-9; AIDS072178; EINECS 233-466-0; 11105-14-9 |
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN000434 |
methyltanshinonate |
Methuyl tanshinonate; (?)-Methyl tanshinonate; FT-0628808; Methyl 1,6-dimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-6-carboxylate #; AC1LDQ9J; METHYL 6,14-DIMETHYL-16,17-DIOXO-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),8,11(15),13-PENTAENE-6-CARBOXYLATE; Phenanthro[1,2-b]furan-6-carboxylic acid, 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxo-, methyl ester; methyl tanshinonate; 135355-72-5; YFDKIHAZVQFLRC-UHFFFAOYSA-N; methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate; methyl 6,14-dimethyl-16,17-dioxo-12-oxatetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1(10),2(7),8,11(15),13-pentaene-6-carboxylate; Methyltanshinonate; SCHEMBL16152293 |
C20H18O5 |
338.4 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
|
TCMBANKIN000442 |
1-Methoxynapthalene |
2216-69-5; alpha-Naphthyl methyl ether; AI3-02144; 1-Methoxynaphthalene; EINECS 218-696-1; AIDS-017812; Methyl 1-naphthyl ether; InChI=1/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H; AIDS017812; .alpha.-Naphthyl methyl ether; NSC5530; 154571_ALDRICH; NSC 5530; ZINC01686999; Naphthalene, 1-methoxy-; alpha-Methoxynaphthalene; .alpha.-Methoxynaphthalene |
C11H10O |
158.2 |
COC1=CC=CC2=CC=CC=C21 |
|
TCMBANKIN000447 |
Aucubin_qt |
|
C15H22O9 |
346.33 |
|
|
TCMBANKIN000468 |
(E)-10-methylundec-1-en-1-ol |
|
C30H50O |
426.72 |
|
|
TCMBANKIN000470 |
4,17(20)-(cis)-pregnadiene-3,16-dione |
4,17(20)-(trans)-pregnadiene-3,16-dione |
C42H56O4 |
624.9 g/mol |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
|
TCMBANKIN000481 |
Hexyl acetate |
142-92-7; BRN 1747138; ZINC01683479; 45900_FLUKA; Hexyl alcohol, acetate; Hexyl ethanoate; 461245_ALDRICH; W256528_ALDRICH; Hexyl acetate (natural); 108154_ALDRICH; 88230-35-7; 1-Hexyl acetate; n-Hexyl ethanoate; n-Hexyl acetate; EINECS 205-572-7; l-Hexyl acetate; Hexylester kyseliny octove [Czech]; Capryl acetate; C8634_SIGMA; 25539_FLUKA; Acetic acid, hexyl esters mixture; Acetic acid, hexyl ester; HSDB 5641; 4-02-00-00159 (Beilstein Handbook Reference); hexyl acetate; WLN: 6OV1; Hexanol, acetate, branched and linear; NSC 7323; AI3-28569; acetic acid hexyl ester; W256501_ALDRICH; NSC7323; FEMA No. 2565 |
C8H16O2 |
144.21 g/mol |
CCCCCCOC(=O)C |
|
TCMBANKIN000508 |
crosatoside A |
|
C28H32O16 |
624.5 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)OC)CO)O)O)O)O)O |
|
TCMBANKIN000519 |
ETHYLBENZALDEHYDE |
ZINC02003388; Benzaldehyde, P-ethyl-; 4748-78-1; ST5213337; BENZALDEHYDE,4-ETHYL; Ethyl benzaldehyde; EINECS 225-268-8; Ethylbenzaldehyde, p-; FEMA No. 3756; InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H; Benzaldehyde, 4-ethyl-; W375608_ALDRICH; 233633_ALDRICH; Benzaldehyde, ethyl-; 4-ETHYLBENZALDEHYDE; 53951-50-1; p-Ethylbenzaldehyde |
C9H10O |
134.18 |
CCC1=CC=C(C=C1)C=O |
|
TCMBANKIN000523 |
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate |
(E)-3-phenylprop-2-enoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate; (E)-3-phenylacrylic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester |
|
310.37 |
|
|
TCMBANKIN000599 |
1,2,3,7-Tetramethylindole |
STK249660; 1,2,3,7-Tetramethyl-1H-indole |
C12H15N |
173.25 g/mol |
CC1=C2C(=CC=C1)C(=C(N2C)C)C |
|
TCMBANKIN000609 |
(6S)-6-methyloctan-1-ol |
|
C9H20O |
144.25 |
CCC(C)CCCCCO |
|
TCMBANKIN000644 |
Lucidumoside D_qt |
|
C27H36O13 |
568.57 |
|
|
TCMBANKIN000682 |
Curculigoside_qt |
curculigoside A_qt |
C22H26O11 |
466.44 |
|
|
TCMBANKIN000707 |
cis-isoascaridole |
(1S,4S)-4-methyl-1-propan-2-yl-7,8-dioxabicyclo[2.2.2]oct-2-ene; (1S,4S)-1-isopropyl-4-methyl-7,8-dioxabicyclo[2.2.2]oct-2-ene |
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN000725 |
4,4'-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol) |
phenol, 4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2-methoxy-; InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H; 4-[(1R,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenol; 4-[(1R,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenol; PINORESINOL MFC20 H22 O6 |
C20H22O6 |
358.39 |
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN000791 |
Herbacetin |
DTXSID70415061; ZINC6536276; 8-Hydroxykaempferol; AK608438; FT-0688291; 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 8144AH; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3,4',5,7,8-Pentahydroxyflavone; MolPort-019-998-217; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; C02806; A829256; Herbacetin, >=98% (HPLC); ZDOTZEDNGNPOEW-UHFFFAOYSA-N; SCHEMBL872691; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113149; 527-95-7; Ambap527-95-7; herbacetin; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; D09YVT; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 3,5,7,8,4'-Pentahydroxyflavone; MFCD00210585; BDBM50304350; PubChem9861; 4H-1-Benzopyran-4-one,3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; AC1NQX74; AKOS030573690; CHEMBL611029 |
C15H10O7 |
302.24 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O |
|
TCMBANKIN000793 |
quercetin,3-o-glucoside |
|
C21H20O12 |
464.38 |
|
|
TCMBANKIN000842 |
1-Methyl-5,6-divinyl-1-cyclohexene |
|
C11H16 |
148.24 g/mol |
CC1=CCCC(C1C=C)C=C |
|
TCMBANKIN000881 |
Marmin |
7-(6',7'-Dihydroxygeranyloxy)coumarin; 7-[(E,6R)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]chromen-2-one; 7-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-2-chromenone; marmin; 7-[(E,6R)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]coumarin; 14957-38-1; (R-(E))-7-((6,7-Dihydroxy-3,7-dimethyl-2-octenyl)oxy)-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 7-((6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy)-, (R-(E))-; 7-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one |
C19H24O5 |
332.39 |
CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O |
|
TCMBANKIN000898 |
Uralene |
5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavone; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-4-chromenone; 2-(4,5-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl)-5,6-dihydroxy-3-methoxy-4H-chromen-4-one; SCHEMBL3977970; LMPK12111615; 4',5,5',6-tetrahydroxy-3-methoxy-2'-prenylflavone; AC1Q6E0V; AKOS030553602; uralene; 4H-1-Benzopyran-4-one, 2-(4,5-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-5,6-dihydroxy-3-methoxy-; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromen-4-one; AC1L4UEU; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromone; 150853-99-9; 2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; AK583653; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one |
C21H20O7 |
384.38 |
CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C |
|
TCMBANKIN000900 |
21964-48-7 |
trideca-1,12-diene; tridecadiene-1,12; 1,12-TRIDECADIENE |
C13H24 |
180.33 |
C=CCCCCCCCCCC=C |
|
TCMBANKIN000908 |
2-(3,5-dihydroxy-4-methoxy-phenyl)-3,5,7-trihydroxy-chromone |
2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychromen-4-one; 2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-4-chromenone; 2-(3,5-dihydroxy-4-methoxy-phenyl)-3,5,7-trihydroxy-chromen-4-one |
C16H12O8 |
332.26 g/mol |
COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN000919 |
(E)-3-(2,4-dimethylphenyl)acrylic acid |
JS-184C; T5568696; (E)-3-(2,4-dimethylphenyl)prop-2-enoic acid |
C11H12O2 |
176.21 |
CC1=CC(=C(C=C1)C=CC(=O)O)C |
|
TCMBANKIN000991 |
dan-shexinkum b |
|
|
280.34 |
|
|
TCMBANKIN001017 |
1,7-Diphenyl-6(E)-hepten-3one |
|
|
264.39 |
|
|
TCMBANKIN001067 |
Angelic acid |
EINECS 209-284-2; NSC 96885; Angelikasaeure; angelic acid; cis-2-dimethylcrotonic acid; UIERETOOQGIECD-ARJAWSKDSA-N; 2-butenoic acid, 2-methyl-, (2Z)-; alpha-methylisocrotonic acid; 2-Methyl-2-butenoic acid, cis; 2-Methyl-(Z)-Crotonic acid; Angelicasaeure; cis-2-Methyl-2-butenoic acid; InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3; AK307425; MolPort-006-111-892; TR-019840; CHEBI:36431; DB-007259; MFCD00002654; Angelikasaure; ST088024; AKOS003662964; 2-methyl-2Z-butenoic acid; CHEMBL55941; 2-Methyl-(2Z)-2-butenoic acid; ZX-AT028248; BBL012257; SBB071598; Q-201832; alpha-methyl isocrotonic acid; I14-108119; acide angelique; STL163578; Crotonic acid, 2-methyl-, (Z)-; 2-Methyl-(Z)-2-Butenoic acid; H6239; SCHEMBL133954; NSC96885; KB-47402; NSC-96885; ALD-N035924; 2-Butenoic acid,2-methyl-, (2Z)-; (2Z)-2-Methyl-2-butenoic acid; 565-63-9; angelicacid; acido angelico; Crotonic acid, 2-methyl-, (Z)- (8CI); cis-2,3-dimethylacrylic acid; (Z) CH3CH=C(CH3)COOH; ZINC897447; LMFA01020029; (Z)-2-methylbut-2-enoic acid; UNII-54U4ZPB36F; Z-2-methylcrotonic acid; 54U4ZPB36F; (Z)-2-Methyl-2-butenoic Acid; 2-Butenoic acid, 2-methyl-, (Z)-; (2Z)-2-methylbut-2-enoic acid; AC1LD88O; Z-2-methyl-2-butenoic acid; CC-24130; (Z)-2-methylcrotonic acid; 2-Methylisocrotonic acid |
C5H8O2 |
100.12 |
CC=C(C)C(=O)O |
|
TCMBANKIN001076 |
7-methyl-4-methylethenyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
|
|
190.36 |
|
|
TCMBANKIN001119 |
[(2S)-6-methylhept-5-en-2-yl] acetate |
acetic acid [(1S)-1,5-dimethylhex-4-enyl] ester; [(2S)-6-methylhept-5-en-2-yl] ethanoate; [(1S)-1,5-dimethylhex-4-enyl] acetate |
C10H18O2 |
170.25 |
|
|
TCMBANKIN001169 |
30469-22-8 |
EINECS 238-619-5; (1S,2S,5R)-2,6,6-trimethyl-3-norpinanone; EINECS 239-394-6; 15358-88-0; 24558-58-5; (1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one; (1S-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one; (1)-(1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one; (1S,2S,5R)-2,7,7-trimethylbicyclo[3.1.1]heptan-3-one; EINECS 250-212-4; (1S,2S,5R)-2,6,6-trimethylnorpinan-3-one; 14575-93-0; Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel- |
C10H16O |
152.23 |
CC1C2CC(C2(C)C)CC1=O |
|
TCMBANKIN001174 |
3-methoxy-1-ethenyl-cyclopentene |
|
|
124.2 |
|
|
TCMBANKIN001217 |
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-2-isopropenyl-5-methylhex-4-enyl]-5-methoxy-4-chromanone |
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]-5-methoxy-chroman-4-one; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one |
C26H30O6 |
438.51 |
|
|
TCMBANKIN001247 |
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl- |
(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one |
C13H18O |
190.28 g/mol |
CC1(CC=C2CCCC2=CC(=O)C1)C |
|
TCMBANKIN001271 |
corysamine |
|
C20H16NO4+ |
334.3 g/mol |
CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC6=C(C=C5CC4)OCO6)OCO3 |
|
TCMBANKIN001290 |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)anthracene-9,10-dione |
C17H14O6 |
314.29 g/mol |
COCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O |
|
TCMBANKIN001304 |
nerohdyl acetate |
|
|
264.45 |
|
|
TCMBANKIN001306 |
citrusin A_qt |
|
|
376.44 |
|
|
TCMBANKIN001325 |
2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN001361 |
pseudolaroside C |
|
|
314.32 |
|
|
TCMBANKIN001392 |
Centauroside_qt |
|
|
434.48 |
|
|
TCMBANKIN001398 |
(2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran |
(2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-oxolane; (2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran; (2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane |
C24H32O7 |
432.51 |
|
|
TCMBANKIN001432 |
kuwanon U |
|
C26H30O6 |
438.51 |
CC(=CCCC(=CCC1=CC(=C(C=C1OC)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
|
TCMBANKIN001435 |
Codopiloic acid |
codopiloic acid; codopiloicacid; 136945-75-0; 2H-1,4-oxazine-3-carboxylic acid |
C5H5NO3 |
127.1 |
C1C(=NC=CO1)C(=O)O |
|
TCMBANKIN001448 |
1,5,8-trimethyl-1,2-dihydronaphthalene |
1,5,8-trimethyl-1,2-dihydro-naphthalene |
|
172.29 |
|
|
TCMBANKIN001481 |
Phenylcyclopropane |
NSC 3018; Cyclopropane, phenyl-; 158011_ALDRICH; NSC3018; Benzene, cyclopropyl-; Cyclopropylbenzene; 1-Phenylcyclopropane; InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H; 873-49-4; EINECS 212-839-1 |
C9H10 |
118.18 |
C1CC1C2=CC=CC=C2 |
|
TCMBANKIN001483 |
cis-Ocimene, 8-oxo- |
(2E)-2-ethenyl-6-methylhepta-2,5-dienal; (2E)-6-methyl-2-vinylhepta-2,5-dienal; (2E)-6-methyl-2-vinyl-hepta-2,5-dienal; (2E)-2-ethenyl-6-methyl-hepta-2,5-dienal |
C10H14O |
150.22 g/mol |
CC(=CCC=C(C=C)C=O)C |
|
TCMBANKIN001503 |
Methakrylsaeure |
Acide methacrylique [French]; CCRIS 5925; 4-02-00-01518 (Beilstein Handbook Reference); 79-41-4; NSC7393; Acrylic acid, 2-methyl-; .alpha.-Methacrylic acid; UN2531; Kyselina methakrylova [Czech]; Propionic acid, 2-methylene-; Methacrylic acid; 2-Methylacrylic acid; Methylacrylic acid; Propenoic acid, 2-methyl; 2-Methylpropensaeure; 2-Methylenepropionic acid; Acido metacrilico [Spanish]; 2-Propenoic acid, 2-methyl-; alpha-methacrylic acid; WLN: QVY1&U1; EINECS 201-204-4; Polymethacrylic acid; CHEBI:25219; AI3-15724; 395374_ALDRICH; Methacrylsaeure; 2-Methylpropenoic acid; 463311-95-7; InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6; 115708-68-4; 2-Propenoic acid, 2-methyl-, homopolymer; Methacrylic acid, inhibited [UN2531] [Corrosive]; alpha-Methylacrylic acid; 2-Methacrylic Acid; .alpha.-Methylacrylic acid; 2-Methyl-2-propenoic acid; HSDB 2649; 2-methylprop-2-enoic acid; POLY(METHYLACRYLIC ACID); 155721_ALDRICH; 64050_FLUKA; BRN 1719937; NSC 7393 |
C4H6O2 |
86.09 g/mol |
CC(=C)C(=O)O |
|
TCMBANKIN001522 |
Daechuine S5 |
|
|
488.75 |
|
|
TCMBANKIN001533 |
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one |
ZINC00338283; (2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromanone; (2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one |
C22H24O10 |
448.42 |
|
|
TCMBANKIN001550 |
Caproleic acid |
W366005_ALDRICH; 9-Decenoic acid; FEMA No. 3660; dec-9-enoic acid; 14436-32-9; 9-decylenic acid; EINECS 238-410-9; Delta(9)-decenoic acid; CHEBI:32381; LMFA01030033 |
C10H18O2 |
170.25 |
C=CCCCCCCCC(=O)O |
|
TCMBANKIN001553 |
1-Naphthylmethanol |
BRN 2042532; 1-Naphthylmethyl alcohol; C14089; 1-Naphthalenemethanol; NSC5315; 1-Menaphthyl alcohol; InChI=1/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H; 1-Hydroxymethylnaphthalene; 4780-79-4; EINECS 225-324-1; ZINC01680841; naphthalen-1-ylmethanol; alpha-Naphthylmethanol; alpha-Naphthylcarbinol; 184284_ALDRICH; AI3-05977; DAlc2-H_000044; NSC 5315; c0720; 4-06-00-04332 (Beilstein Handbook Reference); 1-Naphthylenemethanol; Naphthalene-1-methanol |
C11H10O |
158.2 |
C1=CC=C2C(=C1)C=CC=C2CO |
|
TCMBANKIN001557 |
[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol |
|
|
168.31 |
|
|
TCMBANKIN001570 |
4,(3h)-quinazolinone |
|
C8H6N2O |
146.15 |
|
|
TCMBANKIN001587 |
Cyclohexylethanol |
4442-79-9; Ethanol, 2-cyclohexyl-; EINECS 224-672-1; 29270_FLUKA; Cyclohexane-ethanol; BRN 1848152; AIDS-017539; 2-Cyclohexylethanol; .beta.-Cyclohexylethyl alcohol; AI3-03883; 4-06-00-00119 (Beilstein Handbook Reference); C105104_ALDRICH; Cyclohexylethyl alcohol; Cyclohexaneethanol; Hexahydrophenylethyl alcohol; NSC 30157; AIDS017539; WLN: L6TJ A2Q; NSC30157; (2-Hydroxyethyl)cyclohexane |
C8H16O |
128.21 |
C1CCC(CC1)CCO |
|
TCMBANKIN001602 |
andrographidine B_qt |
|
|
330.31 |
|
|
TCMBANKIN001613 |
LC 5504 |
15,16-Diepxoylabdane-14-en-7-one; 132922-55-5; Dispiro(furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen)-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-, (1''R-(1''alpha(R*),2''alpha,4''aalpha,8''abeta))- |
C20H30O3 |
318.45 |
CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C |
|
TCMBANKIN001694 |
Isogermacrone |
(2E,7Z)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2Z,7E)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one; (2E,7Z)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; (2E,7Z)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2Z,7Z)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; (2Z,7Z)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; 5975-50-8; (2Z,7Z)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2E,7Z)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one; 2,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)-; (2Z,7Z)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one |
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)C=C(CCC1)C |
|
TCMBANKIN001709 |
(1R,2S)-1-ethyl-2-methylcyclopropane |
(1R,2S)-1-ethyl-2-methyl-cyclopropane |
|
84.18 |
|
|
TCMBANKIN001763 |
(E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein |
(E)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-8-chromenyl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-chromen-8-yl)prop-2-enal |
C23H16O7 |
404.37 |
|
|
TCMBANKIN001764 |
Mauritine A |
mauritine a |
C32H41N5O5 |
575.7 |
CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C |
|
TCMBANKIN001780 |
tangshenoside IV_qt |
|
C46H64O26 |
1032.98 |
|
|
TCMBANKIN001788 |
clusin |
|
C22H26O7 |
402.4 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN001797 |
(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-1-decalinol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol; (1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN001815 |
trifolin |
LMPK12111663; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Trifolin; C12626; MEGxp0_000499; Kaempferol 3-O-beta-D-galactoside; Kaempferol-3-O-galactoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; ACon1_000322; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
C21H20O11 |
448.4 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN001843 |
caseanidine |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN001847 |
2-propoxypropane |
BRN 1697061; Ether, isopropyl propyl; Propane, 1-(1-methylethoxy)-; 627-08-7; Isopropyl propyl ether; 1-(1-Methylethoxy)propane; PROPYL ISOPROPYL ETHER |
C6H14O |
102.17 |
CCCOC(C)C |
|
TCMBANKIN001863 |
gamma-aminobutyric acid |
NCGC00015043-01; gamma Aminobutyric acid; GABA hydrochloride; Piperidinic acid; Spectrum3_001385; NINDS_000616; NSC 27418; 4-Aminobutyric acid hydrochloride; LMFA01100039; gamma-Aminobutanoic acid; gamma-Aminobutyric acid; QPGLUEKHBNOAHG-UHFFFAOYSA-N; NCGC00024546-03; 28805-76-7; Aminalon; Gamarex; Tocris-0344; D00058; Oprea1_584567; DF 468; 3131-86-0; Butyric acid, 4-amino- (7CI,8CI); Immu-G; EU-0100005; NSC32044; 5959-35-3; 4-aminobutyrate hydrochloride; MCULE-3615304273; Chemical Name: .gamma.-Aminobutanoic acid; InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7; NCGC00024546-04; SPECTRUM1500678; BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID; 0S3LEB8Q58; gamma-Aminobutyric acid-carboxy-14C; Gamastan; BSPBio_002970; PDSP1_001275; Gammalon; Spectrum2_001208; gamma-Aminobuttersaeure; 56-12-2; a-Aminobutyric acid; Gamulin; nchembio.78-comp12; Gaballon; AC1L4OHW; gamma-Aminobutyric acid hydrochloride; PDSP2_001259; SMR000058285; KBio1_000616; 4-NH2-but; Butanoic acid,4-amino-, hydrochloride (1:1); Acide amino-4- butyrique [French]; 4-aminobutyrate; MLS000028505; EINECS 227-724-1; DTXSID50208256; 4-aminobutyric acid; NCGC00024546-01; KBio2_005565; ST5330631; Butanoic acid, amino-; AK498572; CCG-213774; 4-Aminobutyric acid HCl; Reanal; BG00901312; EPA Pesticide Chemical Code 030802; Gamma-Aminobutyric acid (JAN); UNII-0S3LEB8Q58; gamma-Aminobuttersaeure [German]; NSC27418; AC1Q3E7S; to_000021; Spectrum5_001425; Lopac-A-2129; KBioSS_000429; .gamma.-Aminobutanoic acid; A2129_SIGMA; g-Aminobutyric acid; 56-12-2 (Parent); KBio3_002190; SPBio_000996; Gammalon (TN); 4-NH3-but; NCGC00024546-06; NSC51295; CTK5B0181; Gammalone; Piperidic acid; WLN: Z3VQ; SGCUT00121; IDI1_000616; GABA; EINECS 200-258-6; CCRIS 3721; gamma-aminobutyrate; Spectrum_000049; gamma-Aminobutryic acid; KBio2_000429; KBio2_002997; 70582-09-1; omega-aminobutyric acid; Spectrum4_000809; Aminobutanoic acid; 4-aminobutanoic acid,hydrochloride; butanoic acid, 4-amino-; gamma-amino-n-butyric acid; Mielomade; 4-AMINO-BUTYRATE; GAMMA(AMINO)-BUTYRIC ACID HYDROCHLORIDE; Biomol-NT_000230; 4-aminobutanoic acid hydrochloride(1:1); 4-aminobutanoic acid hydrochloride; 4-aminobutanoate; A5835_SIGMA; Lopac0_000005; GAMMA-AMINO-BUTANOIC ACID; CHEBI:16865; 4-amino-butanoic acid; 4-amino-n-butyric acid; Gammar; C00334; Mielogen; Gamma-aminobutyric acid [JAN]; Gammagee; GAMMA(AMINO)-BUTYRIC ACID; NSC45460; AI3-26812; 3-Carboxypropylamine; A7463_SIGMA; Butyric acid, 4-amino-; .gamma.-Aminobutyric acid; SCHEMBL115987; DivK1c_000616; Gammasol; AKOS024400865; Aminobutyric acid; 4-Aminobutanoic acid; KBioGR_001297; Butanoic acid, 4-amino- (9CI) |
C4H10ClNO2 |
139.58 g/mol |
C(CC(=O)O)CN.Cl |
|
TCMBANKIN001872 |
4-[(2S,3R)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol |
4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol |
C20H22O6 |
358.39 |
|
|
TCMBANKIN001873 |
Kadsurenin B |
AC1NSX8S; (6R)-7-(1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one; kadsurenin b |
|
342.42 |
CC1C(C2C(C1(C=C(C2=O)CC=C)OC)O)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN001885 |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one; (3R,4R)-3,4-bis(3,4-dimethoxybenzyl)tetrahydrofuran-2-one; (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-tetrahydrofuranone |
C13H22O |
194.31 |
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC |
|
TCMBANKIN001914 |
3-O-p-coumaroylquinic acid |
|
C16H18O8 |
338.31 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
|
TCMBANKIN001973 |
Butylbenzene |
EINECS 203-209-7; NSC 8465; HSDB 7211; N4B; 19610_FLUKA; 19600_FLUKA; 104-51-8; InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H; 1-Butylbenzene; n-Butylbenzene; 4-05-00-01033 (Beilstein Handbook Reference); Benzene, butyl-; AI3-00119; WLN: 4R; CHEBI:44194; BRN 1903395; NSC8465; 1-Phenylbutane; B90203_ALDRICH; 74296-32-5; 47322_SUPELCO |
C10H14 |
134.22 |
CCCCC1=CC=CC=C1 |
|
TCMBANKIN001984 |
dichotomin,j |
|
|
664.89 |
|
|
TCMBANKIN002016 |
icariside C1 |
icariside c1 |
C21H38O8 |
418.52 |
CC(=CCCC(C)(C=C)O)CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN002027 |
(2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanone |
(2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one |
|
152.26 |
|
|
TCMBANKIN002067 |
methyl 2,4-dimethoxy-6-methylbenzoate |
Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester; ST5408056; methyl 2,4-dimethoxy-6-methyl-benzoate; 2,4-dimethoxy-6-methylbenzoic acid methyl ester; o-Toluic acid, 4,6-dimethoxy-, methyl ester; 2,4-dimethoxy-6-methyl-benzoic acid methyl ester; ZINC02149958 |
C11H14O4 |
210.23 |
CC1=CC(=CC(=C1C(=O)OC)OC)OC |
|
TCMBANKIN002077 |
germacrone-13-al |
13-hydroxygermacrone |
C15H20O2 |
232.32 g/mol |
CC1=CCC(=C(C)C=O)C(=O)CC(=CCC1)C |
|
TCMBANKIN002078 |
Dow Corning product Z-6187 |
CM8650; cyclohexyl-dimethoxy-methylsilane; cyclohexyl-dimethoxy-methyl-silane; 435635_ALDRICH; Cyclohexyl(dimethoxy)methylsilane |
C9H20O2Si |
188.34 |
CO[Si](C)(C1CCCCC1)OC |
|
TCMBANKIN002127 |
orobanchoside_qt |
|
C29H34O15 |
622.57 |
|
|
TCMBANKIN002128 |
[(3R)-3,7-dimethylocta-1,6-dien-3-yl] acetate |
LMPR01020058; ZINC01531613; [(3R)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate; acetic acid [(1R)-1,5-dimethyl-1-vinylhex-4-enyl] ester; C09863; acetic acid [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate |
C12H20O2 |
196.29 |
CC(=CCCC(C)(C=C)OC(=O)C)C |
|
TCMBANKIN002131 |
trans-8,10-diethyl lobelionol |
|
|
227.39 |
|
|
TCMBANKIN002154 |
7-O-Methylluteolin-6-C-beta-glucoside_qt |
|
|
318.3 |
|
|
TCMBANKIN002169 |
Isobutyl octanoate |
Octanoic acid, 2-methylpropyl ester; caprylic acid isobutyl ester; 2-methylpropyl octanoate; n-Caprylic acid isobutyl ester; NSC 23943; AI3-31003; Isobutyl caprylate (natural); NSC23943; 5461-06-3; octanoic acid isobutyl ester; EINECS 226-744-8; Octanoic acid, isobutyl ester; iso-Butyl caprylate; Isobutyl caprylate |
C12H24O2 |
200.32 g/mol |
CCCCCCCC(=O)OCC(C)C |
|
TCMBANKIN002212 |
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester; MEGxp0_000687; (E)-3-(3,4-dihydroxyphenyl)acrylic acid [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzyl] ester; [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
C20H22O8 |
390.38 |
C1=CC=C(C(=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN002249 |
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
(E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester; [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
C23H26O11 |
478.45 |
|
|
TCMBANKIN002258 |
Glepidotin A |
8-(3,3-Dimethylallyl)galangin; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one; 8-(3,3-DMA)galangin; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chromone; glepidotin a; 42193-83-9; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromenone; 8-Prenylgalangin; C10049 |
C20H18O5 |
338.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)C |
|
TCMBANKIN002274 |
isohumbertiol-3-o-{α-L-rhamnopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)-[α-L-rhamnopyranosyl(1→6)]}-β-D-glucopyranoside_qt |
|
|
236.39 |
|
|
TCMBANKIN002281 |
eupatorin |
MolPort-001-742-461; 6-methoxyluteolin-4'',7-dimethyl ether; KBioSS_001517; SCHEMBL555597; EUPATORIN; 3J474AV6MY; Flavone, 3',5-dihydroxy-4',6,7-trimethoxy-; A1-01414; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; HMS3262O20; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-; KBio1_001963; MCULE-7438854859; ST50331588; AX8082670; SPBio_000532; KBio2_006653; Kinome_3214; Spectrum4_001833; AC1Q6AIH; ZINC1412; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; AKOS015856247; 3'',5-dihydroxy-4'',6,7-trimethoxy flavone; Flavone, 3',5-dihydroxy-4',6,7-trimethoxy- (8CI); ZB000328; NSC 106402; KBio2_001517; KBio2_004085; Spectrum2_000456; 3',6,7-trimethoxyflavone; KLAOKWJLUQKWIF-UHFFFAOYSA-N; 855-96-9; NSC106402; AC1L3Y1I; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4h-chromen-4-on; 6-Methoxyluteolin 4',7-dimethyl ether; W1625; Eupatorine; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one; 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone; 3,5-dihydroxy-4,6,7-trimethoxyflavone; UNII-3J474AV6MY; DTXSID20234704; ST5331588; LMPK12111239; BDBM50344054; KBioGR_002532; MFCD00016929; FT-0614615; ACon1_001351; I14-111109; TR-026736; AK112334; NCGC00180598-01; 3'',5-DIHYDROXY-4'',6,7-TRIMETHOXYFLAVONE; 6-Methoxyluteolin 4 inverted exclamation marka,7-dimethyl ether; CHEBI:136666; AJ-08019; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy- (9CI); ST24044768; Eupatorin, >=97% (HPLC); ZINC00001412; Eupatorin, analytical standard; CTK8D4716; DivK1c_007019; 4H-1-Benzopyran-4-one,7-dimethoxy-; Flavone,5-dihydroxy-4',6,7-trimethoxy-; NCGC00261484-01; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone; CHEMBL487402; 4CN-1494; C-57546; SpecPlus_000923; Spectrum_001037; CCG-38698; 3',5-Dihydroxy-4',6,7-trimethoxyflavone; 3 inverted exclamation marka,5-Dihydroxy-4 inverted exclamation marka,6,7-trimethoxyflavone; Tox21_500799; Eupatorin; Spectrum5_000625 |
C18H16O7 |
344.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O |
|
TCMBANKIN002287 |
Hydro Cinnamicacid |
A807624; hydrocinnamic acid; 9198-EP2295412A1; 9198-EP2308873A1; A827992; 9198-EP2292614A1; 9198-EP2269977A2; hydrocinnamicacid; 23157-EP2270004A1; 3-phenyl propionate; XMIIGOLPHOKFCH-UHFFFAOYSA-M; 3-phenylpropionate; 9198-EP2281559A1; 23157-EP2314584A1; 9198-EP2308875A1; CJ-01348; 9198-EP2311837A1; 9198-EP2298734A2; 9198-EP2295426A1; 9198-EP2295413A1; 9198-EP2295550A2; 9198-EP2298775A1; 9198-EP2272840A1; CHEBI:51057; DB-003598; 9198-EP2308845A2; 9198-EP2316836A1; 9198-EP2316834A1; ZB005823; BDBM36026; 9198-EP2308861A1; 9198-EP2308872A1; hydrocinnamate; 9198-EP2295437A1; 9198-EP2308846A2; 9198-EP2272839A1; 9198-EP2374454A1; 9198-EP2295427A1; 9198-EP2292227A2; AKOS024438278; 9198-EP2311831A1; 9198-EP2311842A2; 9198-EP2308844A2; 3-phenyl-propionate; 9198-EP2316829A1; 9198-EP2316835A1; 3-phenylpropanoate; AC1NHIRM; 9198-EP2280010A2; 23157-EP2289891A2; 9198-EP2277876A1 |
C9H10O2 |
150.17 |
C1=CC=C(C=C1)CCC(=O)[O-] |
|
TCMBANKIN002327 |
(+),n-methylcorydine |
|
|
384.54 |
|
|
TCMBANKIN002345 |
Luteone |
CHEBI:27917; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; C10498; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone; 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-; Luteone (isoflavone); 6-isopentenyl-2'-hydroxygenistein; ACon1_000606; luteone; 41743-56-0; MEGxp0_000744; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone |
C20H18O6 |
354.35 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)C |
|
TCMBANKIN002349 |
1,2-Dimethylcyclohexene |
Cyclohexene, 1,2-dimethyl- (8CI)(9CI); EINECS 216-814-6; Cyclohexene, 1,2-dimethyl-; 1674-10-8; NSC 74154; NSC74154; 58147-69-6; 1,2-Dimethyl-1-cyclohexene |
C8H14 |
110.2 g/mol |
CC1=C(CCCC1)C |
|
TCMBANKIN002374 |
Butenone |
ZINC01680420; 1-Propen-3-one; 3-Butenone-2; Methylene acetone; 2-Butenone; 69692_FLUKA; 3-Buten-2-one; delta(sup 3)-2-Butenone; 182745_ALDRICH; gamma-Oxo-alpha-butylene; Acetone, methylene-; 78-94-4; Poly(vinyl methyl ketone); Acetyl ethylene; Methyl vinyl ketone, stabilized [UN1251] [Poison]; Methylvinyl ketone; Ketone, methyl vinyl; Methylvinylketon [German]; Methylvinylketone; Methyl-vinyl-cetone; InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H; 3-Butene-2-one; 269549_ALDRICH; UN1251; Methyl ethenyl ketone; 1-Buten-3-one; M87509_ALDRICH; Methyl-vinyl-cetone [French]; NCGC00091118-01; CCRIS 3423; EINECS 201-160-6; Vinyl methyl ketone; HSDB 716; but-3-en-2-one; Methylvinylketon; NSC4853; WLN: 1V1U1; AI3-16048; Methyl vinyl ketone; NSC 4853 |
C4H6O |
70.09 |
CC(=O)C=C |
|
TCMBANKIN002385 |
3B-hydroxy-4(8)-ene-P-mentllane-3(9)-lactone |
|
|
180.27 |
|
|
TCMBANKIN002408 |
tamariscina ester |
|
|
344.39 |
|
|
TCMBANKIN002445 |
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methylhex-4-enyl]-5-methoxy-4-chromanone |
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one; (2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; (2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]-5-methoxy-chroman-4-one |
|
454.56 |
|
|
TCMBANKIN002452 |
methyl 8-methyl-decanoate |
|
C12H24O2 |
200.32 g/mol |
CCC(C)CCCCCCC(=O)OC |
|
TCMBANKIN002457 |
2-(4-cyclohexylphenoxy)ethanol |
Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-omega-hydroxy-; NSC68829; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-yl-omega-hydroxy-; 2-(p-Cyclohexyl-phenoxy)ethanol; p-Phenylphenoxy polyethylene glycol; 1020-00-4; 28761-54-8; Ethanol, 2-(4-cyclohexylphenoxy)-; Ethanol, 2-(p-cyclohexylphenoxy)-; para-Phenylphenoxypolyethylene glycol; alpha-(1,1'-Biphenyl)-4-omega-hydroxypoly(oxy-1,2-ethanediyl) |
C14H20O2 |
220.31 g/mol |
C1CCC(CC1)C2=CC=C(C=C2)OCCO |
|
TCMBANKIN002483 |
isoincensole,acetate |
|
|
334.55 |
|
|
TCMBANKIN002513 |
hirsutin_qt |
|
|
345.35 |
|
|
TCMBANKIN002600 |
liriodendrin_qt |
7'-epi-(-)-syringaresinol |
C34H46O18 |
742.72 |
|
|
TCMBANKIN002653 |
harpagoside_qt |
Harpagoside_qt |
|
332.38 |
|
|
TCMBANKIN002668 |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one; 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-chromenone |
C20H18O6 |
354.35 |
|
|
TCMBANKIN002694 |
1-Tridecyne |
1-C13H24; tridec-1-yne; EINECS 247-511-7; SBB009041; 26186-02-7 |
C13H24 |
180.33 |
CCCCCCCCCCCC#C |
|
TCMBANKIN002723 |
7,2'-dihydroxy-5,8-dimethoxyflavone |
|
|
314.31 |
|
|
TCMBANKIN002725 |
tectoruside_qt |
|
|
168.21 |
|
|
TCMBANKIN002755 |
vitexin_qt |
|
|
284.28 |
|
|
TCMBANKIN002759 |
cis-Verbenyl acetate |
[(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate; [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ethanoate; acetic acid [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ester |
C12H18O2 |
194.27 |
CC1=CC(C2CC1C2(C)C)OC(=O)C |
|
TCMBANKIN002787 |
(S)-(+)-alpha-Phellandrene |
C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
C10H16 |
136.23 |
CC1=CCC(C=C1)C(C)C |
|
TCMBANKIN002793 |
8-Epilpganic acid_qt |
8-Epiloganic acid_qt |
C16H24O10 |
376.36 |
|
|
TCMBANKIN002803 |
futoamide |
|
C18H23NO3 |
301.38 |
CC(C)CNC(=O)C=CCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN002819 |
3-Methylcoumarin |
3-methyl-2-chromenone; 5-17-10-00165 (Beilstein Handbook Reference); BRN 0122776; EINECS 219-498-8; 3-methylchromen-2-one; Coumarin, methyl-; NCIOpen2_000275; EINECS 215-592-8; 2H-1-Benzopyran-2-one, 3-methyl- (9CI); 2H-1-Benzopyran-2-one, methyl-; 3-Methyl-2H-1-benzopyran-2-one; 2445-82-1; 1333-47-7; Methyl-2-benzopyrone; 2H-1-Benzopyran-2-one, 3-methyl-; Coumarin, 3-methyl-; NSC 65664; NSC65664 |
C10H8O2 |
160.17 g/mol |
CC1=CC2=CC=CC=C2OC1=O |
|
TCMBANKIN002844 |
L-Pantolactone |
55199_FLUKA; (3S)-3-hydroxy-4,4-dimethyl-2-tetrahydrofuranone; (S)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone; (S)-()-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone; (3S)-3-hydroxy-4,4-dimethyloxolan-2-one; (3S)-3-hydroxy-4,4-dimethyl-oxolan-2-one; (S)-()-beta,beta-Dimethyl-alpha-hydroxy-gamma-butyrolactone; 437328_ALDRICH; (3S)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one; ZINC00155362; (S)-()-Pantolactone |
C6H10O3 |
130.14 |
CC1(COC(=O)C1O)C |
|
TCMBANKIN002871 |
ISOPROPYL FORMATE |
EINECS 210-901-2; 625-55-8; propan-2-yl formate; InChI=1/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H; HSDB 6401; 1-Methylethyl formate; 476455_ALDRICH; Formic acid 1-methylethyl ester; Isopropyl methanoate; 4-02-00-00027 (Beilstein Handbook Reference); ZINC02031649; Formic acid, 1-methylethyl ester; propan-2-yl methanoate; Formic acid, isopropyl ester; BRN 1735844; AI3-15407; FEMA No. 2944; formic acid isopropyl ester |
C4H8O2 |
88.11 |
CC(C)OC=O |
|
TCMBANKIN002919 |
Butylcyclobutane |
Cyclobutane, butyl- |
C8H16 |
112.21 g/mol |
CCCCC1CCC1 |
|
TCMBANKIN002929 |
Eucommiol |
(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)-1-cyclopent-3-enol; AC1L4C59; eucommiol; (1R,2R)-2-(2-hydroxyethyl)-3,4-dimethylol-cyclopent-3-en-1-ol; (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol; CHEBI:133889; 55930-44-4; SCHEMBL422795; C17878; DTXSID80204529; 1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)- |
C9H16O4 |
188.22 |
C1C(C(C(=C1CO)CO)CCO)O |
|
TCMBANKIN002972 |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)-4-chromanone |
C18H18O6 |
330.33 |
|
|
TCMBANKIN002976 |
2,3-Butanediol, meso- |
(2R,3S)-butane-2,3-diol; 513-85-9; NSC2164; ZINC01767640; 18969_FLUKA; 5341-95-7; 361461_ALDRICH; 2,3-Butanediol, (R*,S*)-; erythro-2,3-Butanediol; ZINC01577184 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN002984 |
Militarin_qt |
|
C34H46O17 |
726.72 |
|
|
TCMBANKIN002987 |
Paracetat |
propan-2-yl acetate; Isopropyl acetate; Acetic Acid, isopropyl ester; Isopropyl (acetate d') [French]; NSC9295; 45960_FLUKA; Isopropyl acetate [UN1220] [Flammable liquid]; Isopropylacetat; WLN: 1YOV1; Acetate d'isopropyle [French]; NCGC00091731-01; 185477_ALDRICH; 537462_ALDRICH; Acetic acid, 1-methylethyl ester; 90871_FLUKA; 2-Propyl acetate; Isopropile (acetato di) [Italian]; 2-Acetoxypropane; 112992_ALDRICH; UN1220; Isopropyl ethanoate; 1-Methylethyl acetate; HSDB 159; propan-2-yl ethanoate; Isopropyle (acetate d') [French]; InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H; Isopropylacetaat; CCRIS 6053; 4-02-00-00141 (Beilstein Handbook Reference); Isopropyl(acetate d'); W292605_ALDRICH; Isopropylacetaat [Dutch]; Isopropylacetat [German]; BRN 1740761; Acetate d'isopropyle; acetic acid isopropyl ester; EINECS 203-561-1; Isopropylester kyseliny octove [Czech]; FEMA No. 2926; NSC 9295; ZINC00388088; Isopropile(acetato di); 108-21-4 |
C5H10O2 |
102.13 |
CC(C)OC(=O)C |
|
TCMBANKIN002996 |
2- naphthalene methanol |
|
C11H10O |
158.2 g/mol |
C1=CC=C2C=C(C=CC2=C1)CO |
|
TCMBANKIN002997 |
ligupurpuroside B_qt |
|
|
446.49 |
|
|
TCMBANKIN003017 |
1,6-Dihydroxy-3,7-dimethoxyxanthone |
1,6-dihydroxy-3,7-dimethoxy-9-xanthenone; 1,6-dihydroxy-3,7-dimethoxyxanthone; 1,6-dihydroxy-3,7-dimethoxy-xanthone; 1,6-dihydroxy-3,7-dimethoxy-xanthen-9-one; 1,6-dihydroxy-3,7-dimethoxyxanthen-9-one |
C15H12O6 |
288.25 |
COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)O)O |
|
TCMBANKIN003060 |
()-Valencene |
75056_FLUKA; (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene; W344303_ALDRICH; (3R,4aR,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene; (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
TCMBANKIN003068 |
(8R,9S,10R,11R,13S,14S,15S,17E)-17-ethylidene-11,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione |
(8R,9S,10R,11R,13S,14S,15S,17E)-17-ethylidene-11,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone |
|
344.49 |
|
|
TCMBANKIN003090 |
methyl 3,4-o-dicaffeoylquinate |
|
|
530.52 |
|
|
TCMBANKIN003107 |
(1R,4aR,5S,8aS)-1,5-dimethyldecalin |
(1R,4aR,5S,8aS)-1,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
|
166.34 |
|
|
TCMBANKIN003151 |
N-trans-feruloyl-3-methoxytyramine-4-O-β-D-glucopyranoside |
|
|
505.57 |
|
|
TCMBANKIN003196 |
Diethylbenzylamine |
EINECS 212-251-5; benzyl-diethyl-amine; Benzenemethanamine, N,N-diethyl-; NSC128147; Benzyldiethylamine; Benzylamine, N,N-diethyl-; 772-54-3; N-Benzyldiethylamine; N,N-DIETHYLBENZYLAMINE; N-ethyl-N-(phenylmethyl)ethanamine; ST5445108 |
C11H17N |
163.26 |
CCN(CC)CC1=CC=CC=C1 |
|
TCMBANKIN003219 |
ZINC00395662 |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN003230 |
sanjoinine A |
|
C31H42N4O4 |
534.69 |
|
|
TCMBANKIN003241 |
()-Perillaaldehyde |
(4R)-4-isopropenylcyclohexene-1-carbaldehyde; (4R)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde; (4R)-4-isopropenyl-1-cyclohexenecarboxaldehyde; (R)-p-Mentha-1,8-dien-7-al; ZINC01529473; 77301_FLUKA; (R)-4-Isopropenylcyclohexene-1-carboxaldehyde |
C10H14O |
150.22 |
|
|
TCMBANKIN003244 |
dichotomoside,c_qt |
dichotomoside,b_qt |
|
448.51 |
|
|
TCMBANKIN003341 |
NORBORNANE |
|
C7H12 |
96.17 |
C1CC2CCC1C2 |
|
TCMBANKIN003355 |
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN003382 |
dalbergin |
2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-phenyl-; AC1L9DDQ; CHEMBL1829658; ZINC00899783; Dalbergin; TC-071472; AKOS015856200; 6-Hydroxy-7-methoxy-4-phenyl-chromen-2-one; ZB015167; ZINC899783; FT-0660660; LMPK12100003; 6-hydroxy-7-methoxy-4-phenylchromen-2-one; DTXSID60331943; 6-hydroxy-7-methoxy-4-phenyl-2H-chromen-2-one; C-54609; ST5308886; SCHEMBL620349; 6-hydroxy-7-methoxy-4-phenyl-chromen-2-one; CHEBI:4308; AZELSOYQOIUPBZ-UHFFFAOYSA-N; AK396227; CTK8D4059; 6-hydroxy-7-methoxy-4-phenyl-coumarin; ST50308886; 6-Hydroxy-7-methoxy-4-phenylcoumarin; 6-hydroxy-7-methoxy-4-phenyl-2-chromenone; MFCD00075721; KB-248863; C10414; 482-83-7 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN003384 |
plumb |
|
C14H22N2O |
|
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C |
|
TCMBANKIN003410 |
Isocoumarin |
3,4-Benzo-2-pyrone; 491-31-6; 1H-2-Benzopyran-1-one; Benzoic acid, 2-(2-hydroxyethenyl)-, delta-lactone; 1-isochromenone; isochromen-1-one |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=COC2=O |
|
TCMBANKIN003424 |
Dauricine (8CI) |
NSC 36413; Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-; AIDS-012035; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol; C09419; Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,R*))-; AIDS012035 |
C35H60O6 |
576.85 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
|
TCMBANKIN003441 |
melittoside_qt |
Danmelittoside_qt |
|
200.21 |
|
|
TCMBANKIN003451 |
DGN |
(2R)-2,5-diamino-5-oxopentanoic acid; C00819; ST5409906; NCGC00015472-01; 49410_FLUKA; NCGC00163333-01; CHEBI:17061; (2R)-2,5-diamino-5-oxo-pentanoic acid; 5959-95-5; InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10; (2R)-2-amino-4-carbamoylbutanoic acid; (2R)-2,5-diamino-5-keto-valeric acid; (R)-2,5-diamino-5-oxopentanoic acid; D-Glutaminsaeure-5-amid; D-2-Aminoglutaramic acid; G9003_SIGMA; D-Glutamine; D-Glutamin; Lopac-G-3126; D-Glutamic acid 5-amide |
C5H10N2O3 |
146.14 |
C(CC(=O)N)C(C(=O)O)N |
|
TCMBANKIN003488 |
Benzouracil |
AH-740/03933012; 1H-quinazoline-2,4-quinone; (1H,3H)Quinazoline dione-2,4; SMR000439476; (1H,3H)Quinazoline dione-2,4 [French]; 1,2,3,4-Tetrahydroquinazoline-2,4-dione; NSC 2108; 86-96-4; Benzoyleneurea; AIDS054314; Oprea1_764687; 2,4(1H,3H)-Quinazolinedione; ST5165565; EINECS 201-712-6; 142026_ALDRICH; ZINC00150158; Quinazolinedione; (1H,3H)-Quinazoline-2,4-dione; 2,4-Dioxotetrahydroquinazoline; MLS000762991; PDSP2_000044; Maybridge1_000647; 2.4(1H,3H)-Quinazolinedione; 2,4-Dihydroxyquinazoline; 1H-quinazoline-2,4-dione; NSC2108; PDSP1_000044; Quinazoline-2,4-dione; WLN: T66 BMVMVJ; Quinazoline-2,4-diol; Urea, benzoylene-; AI3-28016; SDCCGMLS-0065795.P001; InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12; AIDS-054314; 2-Keto-4-quinazolinone |
C8H6N2O2 |
162.15 |
C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
|
TCMBANKIN003528 |
4-[(1R,3aR,4R,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol |
4-[(1R,3aR,4R,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol |
|
418.48 |
|
|
TCMBANKIN003533 |
Methylselenocysteine |
(2R)-2-amino-3-methylselanylpropanoic acid; 2574-71-2; Lopac0_000799; (2R)-2-amino-3-methylselanyl-propanoic acid; (2R)-2-amino-3-(methylseleno)propanoic acid; C08293; 09974_FLUKA; CCRIS 5465; Selenium-methylselenocystine; Se-Methyl-L-selenocysteine; (2R)-2-amino-3-(methylseleno)propionic acid; 26046-90-2; Se-Methyl-seleno-L-cysteine; 3-(Methylseleno)-L-alanine; L-Alanine, 3-(methylseleno)-; (R)-2-Amino-3-(methylseleno)propionic acid |
C4H9NO2Se |
182.08 |
C[Se]CC(C(=O)O)N |
|
TCMBANKIN003601 |
Physcion-9-O-beta-D-glucopyranoside_qt |
|
|
300.28 |
|
|
TCMBANKIN003618 |
kusaginin _qt |
|
C29H36O15 |
624.59 |
|
|
TCMBANKIN003619 |
2-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate |
(E)-2-methylbut-2-enoic acid [1-methyl-1-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethyl] ester; ZINC02160398; [1-methyl-1-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethyl] (E)-2-methylbut-2-enoate; 19662-71-6; (E)-2-methylbut-2-enoic acid [1-[(2S)-7-keto-2,3-dihydrofuro[4,5-g]chromen-2-yl]-1-methyl-ethyl] ester |
C19H20O5 |
328.36 |
CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
|
TCMBANKIN003690 |
terrestriamide |
|
C18H17NO5 |
327.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O |
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003710 |
3,3-Dimethylpentane |
562-49-2; InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H; 118451_ALDRICH; NSC74150; EINECS 209-230-8; FR-2188; 3,3-dimethyl pentane; NSC 74150; Pentane, 3,3-dimethyl- |
C7H16 |
100.2 |
CCC(C)(C)CC |
|
TCMBANKIN003749 |
furanoeudesma- 1,4-diene-6-one |
|
|
228.31 |
|
|
TCMBANKIN003765 |
Vilmorrianine C |
vilmorrianine c |
C35H49NO9 |
627.76 |
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=C(C=C7)OC)OC)OC(=O)C)OC)OC)COC |
|
TCMBANKIN003777 |
neohesperidin_qt |
|
C28H34O15 |
610.56 |
|
|
TCMBANKIN003780 |
iodo tyrosine |
|
C9H10INO3 |
307.08 g/mol |
C1=CC(=CC=C1CC(C(=O)O)NI)O |
|
TCMBANKIN003789 |
Leonuride(ajugol)_qt |
|
C15H24O9 |
348.35 |
|
|
TCMBANKIN003793 |
Phellavin_qt |
phellavin_qt |
|
374.42 |
|
|
TCMBANKIN003805 |
TDA |
91988_FLUKA; NSC 69131; 4-02-00-01117 (Beilstein Handbook Reference); NSC 25955; EINECS 211-341-1; T0502_SIGMA; (C10-C16)Alkylcarboxylic acid; EINECS 268-105-6; Tridecanoic acid; LMFA01010013; NSC69131; AI3-04166; 638-53-9; 68002-90-4; Fatty acids, C10-16; (C10-C16) Carboxylic acid; n-Tridecanoic acid; NCIOpen2_003250; WLN: QV12; n-Tridecoic acid; TRIDECYLIC ACID; CHEBI:45919; BRN 0508317; NSC25955 |
C13H26O2 |
214.34 |
CC1=C(C=C(C=C1)N)N |
|
TCMBANKIN003856 |
1-methyl-6,7-dioxabicyclo[3.2.1]octane |
|
|
128.19 |
|
|
TCMBANKIN003867 |
cis-Piplartine |
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; CAS-20069-09-4; 1-[(Z)-3-(3,4,5-trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2-one; 1-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2-one; NCGC00016746-01; 1-[(Z)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-5,6-dihydropyridin-2-one; 1-[(2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one; InChI=1/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7; 8(Z)-N-(12,13,14-Trimethoxycinnamoyl)-Delta3-pyridin-2-one; 2(1H)-pyridinone, 5,6-dihydro-1-[(2Z)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]- |
C17H19NO5 |
317.34 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O |
|
TCMBANKIN003871 |
SRT |
Butanedioic acid, 2,3-dihydroxy-, (R*,S*)-; 1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID); (2R,3S)-2,3-dihydroxysuccinic acid; InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10; Mesoweinsaeure; internally compensated tartaric acid; (2R,3S)-tartaric acid; (2R,3S)-2,3-dihydroxybutanedioic acid; (R*,S*)-2,3-dihydroxybutanedioic acid; Internally compensate tartaric acid; S,R MESO-TARTARIC ACID; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; erythraric acid; CHEBI:15673; unresolvable tartaric acid |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN003900 |
METHYL 8-NONYNOATE |
methyl non-8-ynoate; 7003-48-7; non-8-ynoic acid methyl ester; 8-Nonynoic acid, methyl ester |
C10H16O2 |
168.23 |
COC(=O)CCCCCCC#C |
|
TCMBANKIN003905 |
(3R)-2,2,3-trimethyloxirane |
ZINC02037441 |
C5H10O |
86.13 |
CC1C(O1)(C)C |
|
TCMBANKIN003917 |
(1R,4S,5R)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene |
(1R,4S,5R)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene; (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene; (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene |
C15H24 |
204.35 |
|
|
TCMBANKIN003926 |
1-Undecyne |
102681-76-5; NSC 87633; NCIOpen2_001194; undec-1-yne; 1-C11H20; SBB009004; NSC87633; EINECS 218-825-1; 2243-98-3 |
C11H20 |
152.28 |
CCCCCCCCCC#C |
|
TCMBANKIN003931 |
7R,8R-8-hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-ene |
|
C15H24O |
220.35 g/mol |
CC(=C1CCC2(CC(=CC1)CCC2O)C)C |
|
TCMBANKIN003937 |
Placcel M |
POLYCAPROLACTONE; Hexan-6-olide; epsilon-Caprolactone; EINECS 207-938-1; E-caprolactone; 2-Oxepanone, homopolymer; 1,6-Hexanolide; c0059; 80137-66-2; ZINC00388417; C01880; CAPROLACTONE; 241296_ALDRICH; 6-Caprolactone monomer; InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H; epsilon-Caprolactone monomer; 52004-64-5; 6-Hexanolactone; Hexanoic acid, 6-hydroxy-, epsilon-lactone; 502-44-3; 24980-41-4; Aquaplast, caprolactone; oxepan-2-one; 1-Oxa-2-oxocycloheptane; 6-Hydroxyhexanoic acid lactone; 67184-99-0; 5-17-09-00034 (Beilstein Handbook Reference); 6-Hexanolide; HSDB 5670; hexano-6-lactone; Hexanoic acid, epsilon-lactone; 167363_ALDRICH; Hexamethylene oxide, 2-oxo-; .epsilon.-Caprolactone; 21510_FLUKA; CHEBI:17915; BRN 0106919; 2-Oxepanone; epsilon-Kaprolakton [Czech] |
C6H10O2 |
114.14 |
C1CCC(=O)OCC1 |
|
TCMBANKIN003974 |
Strictosamide_qt |
|
C26H30N2O8 |
498.52 |
|
|
TCMBANKIN003976 |
S-Atenolol |
(S)-(−)-Atenolol; 93379-54-5; BB_SC-2098; NCGC00015007-02; Lopac-A-142; NCGC00015007-01; CAS-56715-13-0; Lopac-A-143; Prestwick0_000536; NCGC00016880-02; (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; Esatenolol (JAN/INN); NCGC00024570-01; Prestwick3_000953; NCGC00024566-01; EU-0100156; (S)-Atenolol; NCGC00015007-03; Prestwick2_000536; 2-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide; Esatenolol; NCGC00093636-03; 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; CAS-93379-54-5; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide; Prestwick1_000536; BSPBio_000946; (−)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; Lopac-A-7655; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide; S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide; Tocris-0387; NCGC00016880-01; Tocris-0393; 330892_ALDRICH; BPBio1_001042; Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-; NCGC00024570-04; Lopac0_000156; SPBio_002472; A143_SIGMA; D01471; (-)-Atenolol |
C14H22N2O3 |
266.34 |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
|
TCMBANKIN004026 |
3-Phenyldecane |
(3-Decyl)benzene; CTK4I9250; Benzene,(1-ethyloctyl)-; 3-phenyldecane; 4621-36-7; decan-3-ylbenzene; AC1L2GWI; Decane, 3-phenyl-; PYVIFMPVFLOTLN-UHFFFAOYSA-N; (1-ETHYLOCTYL)BENZENE; (decan-3-yl)benzene; CHEBI:87601; Benzene, (1-ethyloctyl)- |
C16H26 |
218.38 |
CCCCCCCC(CC)C1=CC=CC=C1 |
|
TCMBANKIN004032 |
Methoxyacetic acid,1-cyclopentylethyl ester |
|
C10H18O3 |
186.25 g/mol |
CC(C1CCCC1)OC(=O)COC |
|
TCMBANKIN004040 |
myrtenic acid |
Myrtenate; myrtenicacid; 6,6-Dimethyl-2-norpinene-2-carboxylate; 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate |
C14H28O2 |
228.37 |
CC1(C2CC=C(C1C2)C(=O)[O-])C |
|
TCMBANKIN004083 |
dehydrodiscretamine |
Dehydrodiscretamine |
C19H18NO4+ |
324.3 g/mol |
COC1=CC2=C3C=C4C=CC(=C(C4=C[NH+]3CCC2=CC1=O)OC)O |
|
TCMBANKIN004088 |
Maruzen M |
NSC 114470; p-Ethylphenol; 4-Hydroxyphenylethane; SGCUT00257; 04700_FLUKA; BENZENE,1-ETHYL,4-HYDROXY; ZINC01690956; Phenol, p-ethyl-; Poly(4-vinylphenol); 4-06-00-03020 (Beilstein Handbook Reference); 4-Vinylphenol polymer; 29471-88-3; p-Vinylphenol polymer; Phenol, 3(or 4)-ethyl-; AI3-26063; 1-Hydroxy-4-ethylbenzene; 123-07-9; 1-Ethyl-4-hydroxybenzene; 4-Hydroxyethylbenzene; Poly(p-vinylphenol); Phenol, 4-ethenyl-, homopolymer; InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H; E44205_ALDRICH; 36724_RIEDEL; EINECS 204-598-6; 24979-70-2; Hydroxyphenylethane, p-; NSC 62012; Phenol, 4-ethyl-; 4-Ethylphenol; C13637; NSC62012; p-Hydroxystyrene polymer; to_000047; para-Ethylphenol; Poly(4-hydroxystyrene); 101052-19-1; ST5331802; Poly(p-hydroxystyrene); W315605_ALDRICH; Phenol, p-vinyl-, polymers; BRN 1363317; FEMA No. 3156; HSDB 5598; 4-ETHENYLPHENOL, HOMOPOLYMER |
C8H8O |
120.15 g/mol |
C=CC1=CC=C(C=C1)O |
|
TCMBANKIN004089 |
8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one |
2H-1-Benzopyran-2-one, 8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-; InChI=1/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; STOCK1N-14640; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; ZINC04027246; EINECS 208-355-5; ACon1_000325; MEGxp0_000484; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; AIDS-224553; 7-hydroxy-6-methoxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; AIDS224553 |
C16H18O10 |
370.31 |
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN004146 |
13-methyldehydrocorydalmine |
|
|
352.44 |
|
|
TCMBANKIN004150 |
adamantane |
|
C10H16 |
136.23 |
C1C2CC3CC1CC(C2)C3 |
|
TCMBANKIN004157 |
1-ethoxyoctane |
6529-79-9; Ethyl octyl ether; Octane, 1-ethoxy- |
C10H22O |
158.28 g/mol |
CCCCCCCCOCC |
|
TCMBANKIN004175 |
Myristicin aldehyde |
7-methoxy-1,3-benzodioxole-5-carboxaldehyde; 7-Methoxybenzo-1,3-dioxole-5-carboxaldehyde; 7-methoxy-1,3-benzodioxole-5-carbaldehyde; 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-; 3-Methoxy-4,5-methylenedioxybenzaldehyde; 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE; AI3-24290; EINECS 227-304-8; myristicin aldehyde; 5780-07-4; ZERO/009383; ZINC02146907 |
C9H8O4 |
180.16 g/mol |
COC1=CC(=CC2=C1OCO2)C=O |
|
TCMBANKIN004179 |
kushenol J_qt |
|
C27H32O14 |
580.53 |
|
|
TCMBANKIN004190 |
cyclohexene,3-butyl- |
|
C10H18 |
138.25 g/mol |
CCCCC1CCCC=C1 |
|
TCMBANKIN004248 |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromone |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one; 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-4-chromenone |
C25H26O6 |
422.47 |
|
|
TCMBANKIN004284 |
methyl 3-o-caffeoylquinate |
|
|
368.37 |
|
|
TCMBANKIN004330 |
[(1S,4S)-4-isopropyl-1-cyclohex-2-enyl]methanol |
[(1S,4S)-4-propan-2-yl-1-cyclohex-2-enyl]methanol |
C10H18O |
154.25 |
|
|
TCMBANKIN004446 |
cis,trans-4,5-Diethyl-3,5-octadiene |
3,5-Octadiene, 4,5-diethyl-, (E,Z)-; (3E,5Z)-4,5-diethylocta-3,5-diene; NSC244867; 21293-02-7; 4,5-DIETHYL-3,5-OCTADIENE (TRANS,CIS) |
C12H22 |
166.3 |
CCC=C(CC)C(=CCC)CC |
|
TCMBANKIN004455 |
4,7-dihydroxy-1-p-hydroxybenzyl-2-methoxy-9,10-dihydrophenanthrene |
|
|
348.42 |
|
|
TCMBANKIN004479 |
Hex-3-enyl acetate |
EINECS 222-962-2; acetic acid [(E)-hex-3-enyl] ester; 3-Hexen-1-ol, acetate, (E)-; 1708-82-3; 3-Hexen-1-ol, acetate, (3E)-; 3681-82-1; [(E)-hex-3-enyl] ethanoate; acetic acid hex-3-enyl ester; (3E)-3-Hexenyl acetate; trans-3-Hexenyl acetate; [(E)-hex-3-enyl] acetate; (E)-Hex-3-enyl acetate; 3-Hexen-1-ol, acetate; hex-3-enyl ethanoate; EINECS 216-965-8; AI3-33358; 3-HEXENE-1-OL ACETATE |
C8H14O2 |
142.2 |
CCC=CCCOC(=O)C |
|
TCMBANKIN004499 |
quercetin,3-o-b-d-glucuronide |
|
|
478.39 |
|
|
TCMBANKIN004515 |
cis-resveratrol |
5-[(Z)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; (Z)-resveratrol; 5-[(Z)-2-(4-hydroxyphenyl)vinyl]resorcinol; CHEBI:36002; Tocris-1418; NCGC00024003-02; NCGC00015894-01; 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CAS-501-36-0; NCGC00015894-02; NCGC00017352-01; Lopac-R-5010; TNP00294 |
C14H12O3 |
228.24 |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
|
TCMBANKIN004547 |
isolinalyl acetate |
|
C12H20O2 |
196.29 g/mol |
CC(=C)CCCC(C)(C=C)OC(=O)C |
|
TCMBANKIN004570 |
n-butyl-O-β-D-fruct opyranoside |
n-butyl-O-β-D-fructopyranoside |
|
222.27 |
|
|
TCMBANKIN004590 |
2-(1-Hydroxyethyl)norbornadiene |
|
C9H12O |
136.19 g/mol |
CC(C1=CC2CC1C=C2)O |
|
TCMBANKIN004592 |
Robinetin |
NSC-656274; WLN: T66 BO EVJ CR CQ DQ EQ& DQ IQ; 3,3'',4'',5'',7-pentahydroxy flavone; SR-05000002311-2; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; EINECS 207-709-6; LS-69031; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl); 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone; ST24041297; NSC407331; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); KB-234373; 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; AK112322; 5-Hydroxyfisetin; AKOS016009494; W1691; UNII-KJ6DBC4U7E; BDBM50033767; MFCD00016783; NCGC00163615-01; NSC-407331; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; SOEDEYVDCDYMMH-UHFFFAOYSA-N; NSC656274; Flavone,3',4',5',7-pentahydroxy-; 5-Deoxymyricetin; LMPK12111577; robinetin; 5-18-05-00562 (Beilstein Handbook Reference); SCHEMBL217743; CCG-208323; FT-0724738; ST50309242; CHEBI:8876; 4CN-0354; AX8150478; NSC 656274; MolPort-004-960-055; 3,7,3',4',5'-pentahydroxyflavone; ZINC4098600; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; BRN 0308905; AIDS071290; SR-05000002311; NSC 407331; 3,3',4',5',7-Pentahydroxyflavone; CCRIS 7520; FLAVONE, 3,3',4',5',7-PENTAHYDROXY-; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; 3,7-Dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one; 490-31-3; C10177; AIDS-071290; CHEMBL170405; Norkanugin; AC1NQYWM; ST5309242; MCULE-2330347941; DTXSID30197654; KJ6DBC4U7E; D07NAY; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-; 3,7,3',4',5'-Pentahydroxuflavone; AJ-48014; 3,7,3'',4'',5''-Pentahydroxyflavone |
C15H10O7 |
302.24 |
C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O |
|
TCMBANKIN004595 |
mulberranol |
|
C25H26O7 |
438.47 |
CC(=CCC1=C(OC2=CC3=C(CC(O3)C(C)(C)O)C(=C2C1=O)O)C4=C(C=C(C=C4)O)O)C |
|
TCMBANKIN004606 |
p-Mercaptophenol |
637-89-8; NSC46192; BRN 2039306; Hydroquinone, monothio-; Monothiohydroquinone; Phenol, 4-mercapto-; p-Hydroxythiophenol; AI3-32249; 275395_ALDRICH; 63764_FLUKA; NSC 46192; Phenol, 4-mercapto- (9CI); 4-Hydroxybenzenethiol; EINECS 211-307-6; 4-sulfanylphenol; Phenol, p-mercapto-; Phenol, p-mercapto- (8CI); WLN: L6V DYJ DUS; Usaf B-57; 4-Hydroxythiophenol; Thiohydroquinone; 559938_ALDRICH; 4-Mercaptophenol |
C6H6OS |
126.18 |
C1=CC(=CC=C1O)S |
|
TCMBANKIN004644 |
4,5-Dihydrosylvan |
1487-15-6; 4,5-DIHYDRO-2-METHYLFURAN; D105805_ALDRICH; 2,3-Dihydro-5-methylfuran; 2-Methyl-4,5-dihydrofuran; Furan, 2,3-dihydro-5-methyl-; EINECS 216-067-6 |
C5H8O |
84.12 |
CC1=CCCO1 |
|
TCMBANKIN004652 |
2-[(1R)-2,2,3-trimethyl-1-cyclopent-3-enyl]ethanal |
ZINC01063075; 2-[(1R)-2,2,3-trimethyl-1-cyclopent-3-enyl]acetaldehyde |
C10H16O |
152.23 |
|
|
TCMBANKIN004689 |
(+)-Epiexcelsin |
51020-09-8; 6-[(1S,3aR,4R,6aR)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-4-methoxy-1,3-benzodioxole; 6-((2S,6R)-6-(7-Methoxy(2H-benzo(3,4-d)1,3-dioxolen-5-yl))-3,7-dioxabicyclo(3.3.0)oct-2-yl)-4-methoxy-2H-benzo(d)1,3-dioxolene; AIDS-113498; AIDS113498; 6-[(2S,6R)-6-(7-Methoxy(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-3,7-dioxabicyclo[3.3.0]oct-2-yl]-4-methoxy-2H-benzo[d]1,3-dioxolene |
C22H22O8 |
414.41 |
COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC6=C(C(=C5)OC)OCO6 |
|
TCMBANKIN004704 |
1-alpha-Terpinyl acetate |
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 |
C12H20O2 |
196.29 |
CC1=CCC(CC1)C(C)(C)OC(=O)C |
|
TCMBANKIN004724 |
scrophuloside A_qt |
|
|
374.42 |
|
|
TCMBANKIN004751 |
1,3-DIMETHYLCYCLOHEXANE (TRANS) |
cyclohexane, 1,3-dimethyl-, (1R,3R)-; InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s; (1R,3R)-1,3-dimethylcyclohexane |
C8H16 |
112.21 |
CC1CCCC(C1)C |
|
TCMBANKIN004757 |
ZINC00394787 |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN004763 |
2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol |
2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxy-phenol |
|
338.43 |
|
|
TCMBANKIN004785 |
Hexamethylethane |
2,2,3,3-Tetramethylbutane; FR-2137; NSC 62039; EINECS 209-855-6; Butane, 2,2,3,3-tetramethyl-; Ethane, hexamethyl-; 540846_ALDRICH; Butane, 2,2,3,3-tetramethyl- (8CI)(9CI); NSC62039; 594-82-1; InChI=1/C8H18/c1-7(2,3)8(4,5)6/h1-6H |
C8H18 |
114.23 |
CC(C)(C)C(C)(C)C |
|
TCMBANKIN004788 |
potassium salvianolate d |
|
|
418.38 |
|
|
TCMBANKIN004792 |
gamma-Terpineol |
4-isopropylidene-1-methyl-cyclohexan-1-ol; 586-81-2; 1-Methyl-4-(1-methylethylidene)cyclohexan-1-ol; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-; 4-isopropylidene-1-methyl-1-cyclohexanol; TERPINEOL, GAMMA; .gamma.-Terpineol; EINECS 209-584-3; 1-methyl-4-propan-2-ylidene-cyclohexan-1-ol; 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
C10H18O |
154.25 |
CC(=C1CCC(CC1)(C)O)C |
|
TCMBANKIN004830 |
2-O-beta-D-glucopyranosyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one_qt |
|
|
180.15 |
|
|
TCMBANKIN004875 |
(2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
(2R,3S,4S,5R)-2-ethoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol |
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN004890 |
Isobutyryl shikonin |
52438-12-7; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; ZINC1702730; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 2-METHYLPROPANOATE; CTK5J8655; MFCD00144512; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; SCHEMBL3298557; C17414; C-56533; 2-methylpropionic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; Isobutylshikonin; CHEBI:81070; AC1LA0S8; Isobutyrylshikonin; FT-0770577; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate; isobutyryl shikonin; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate; 2-methylpropanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; isobutyrylshikonin |
C20H22O6 |
358.4 g/mol |
CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN004909 |
2-[(2R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN004925 |
Vinyl methacrylate |
434620_ALDRICH; 4245-37-8; Methacrylic acid, vinyl ester; ZINC01665002; 2-Propenoic acid, 2-methyl-, ethenyl ester; NSC 32618; vinyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid vinyl ester; 2-methylacrylic acid vinyl ester; Methacrylic acid, vinyl ester (8CI); NSC32618; 2-Methyl-2-propenoic acid, ethenyl ester; EINECS 224-205-1; ethenyl 2-methylprop-2-enoate |
C6H8O2 |
112.13 |
CC(=C)C(=O)OC=C |
|
TCMBANKIN004943 |
Epibetulinic acid |
AIDS-107572; 3-Hydroxylup-20(29)-en-28-oic acid,(3.alpha.); AIDS107572 |
C30H48O3 |
456.7 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
|
TCMBANKIN004949 |
Hydroxybutyric acid- |
.gamma.-Hydroxybutyric acid decomposition product; 502-85-2 (SODIUM SALT); CHEBI:30830; BRN 1720582; NSC84223 (SODIUM SALT); gamma-Hydroxybutyric acid; LMFA01050006; PDSP2_000340; Butanoic acid, 4-hydroxy-; 4-Hydroxybutanoic acid; HYDROXYBUTYRIC ACID, GAMMA; Butyric acid, 4-hydroxy-; AIDS156012; 4-Hydroxybuttersaeure; 591-81-1; 4-hydroxy-butyric acid; C00989; 4-Hydroxybutyric acid; 52352-27-9; .Gamma.-Hydroxy butyrate; 4-03-00-00774 (Beilstein Handbook Reference); PDSP1_000342; AIDS-156012 |
C4H8O3 |
104.1 |
C(CC(=O)O)CO |
|
TCMBANKIN004959 |
Thalictricoside |
|
C19H27NO12 |
461.4 g/mol |
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC[N+](=O)[O-])O)O)O)O)O)O |
|
TCMBANKIN004963 |
(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
(4aR,7aS)-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
C9H12O3 |
168.19 |
|
|
TCMBANKIN004983 |
(1Z,5Z)-cyclodeca-1,5-diene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN004992 |
p-Amino-o-cresol |
4-amino-2-methyl-phenol; ZINC01669677; 4-amino-2-methylphenol; 2835-96-3; 4-Amino-o-cresol; EINECS 220-619-1; 225053_ALDRICH; Phenol, 4-amino-2-methyl-; o-Cresol, 4-amino-; InChI=1/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H |
C7H9NO |
123.15 |
CC1=C(C=CC(=C1)N)O |
|
TCMBANKIN005010 |
qinghaosu i |
|
C13H18O2 |
206.28 |
|
|
TCMBANKIN005030 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
|
TCMBANKIN005050 |
(2R)-2-methylbutan-1-ol |
ZINC01586738; InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H; 1-BUTANOL,2-METHYL MFC5 H12 O1 |
C5H12O |
88.15 |
CCC(C)CO |
|
TCMBANKIN005067 |
(threo)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)_qt |
|
|
390.47 |
|
|
TCMBANKIN005078 |
(1R)-2-methyl-1-phenylprop-2-en-1-ol |
ZINC02508056; (1R)-2-methyl-1-phenyl-prop-2-en-1-ol |
|
148.22 |
|
|
TCMBANKIN005090 |
7-hydroxy-8-(2-hydroxyethyl)coumarin |
7-hydroxy-8-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-8-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
TCMBANKIN005121 |
(2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
|
386.38 |
|
|
TCMBANKIN005164 |
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
208.24 |
|
|
TCMBANKIN005187 |
2,3-dimethylhexane |
2,3-dimethyl-hexane |
C8H18 |
114.23 |
CCCC(C)C(C)C |
|
TCMBANKIN005197 |
gliadin |
ACMC-20d5l5; L-Glutamine,L-tyrosyl-L-prolyl-L-glutaminyl-L-prolyl- (9CI); 2-({1-[2-({1-[2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]PYRROLIDIN-2-YL}FORMAMIDO)-4-CARBAMOYLBUTANOYL]PYRROLIDIN-2-YL}FORMAMIDO)-4-CARBAMOYLBUTANOIC ACID; GLIADIN; 9007-90-3 |
C29H41N7O9 |
631.7 g/mol |
C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCC(=O)N)C(=O)O |
|
TCMBANKIN005227 |
(2R,3S)-(+)-3',5-Dihydroxy-4 ,7-dimethoxydihydroflavonol |
(2R,3S)-3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chroman-4-one; (2R,3S)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychroman-4-one; (2R,3S)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-chromanone |
|
332.33 |
|
|
TCMBANKIN005241 |
cis-2,8-Menthadien-1-ol |
7212-40-0; (1R,4R)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), cis; 4017-73-6; 22972-52-7; 26767-56-6; trans-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; (1R,4R)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; EINECS 230-595-4; trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN005269 |
Rystal |
3-(Acetylamino)-1-hydroxybenzene; 3'-Hydroxyacetanilide; BS 749; Acetanilide, 3'-hydroxy-; 3-Acetamidophenol; N-(3-Hydroxyphenyl)acetamide; Metacetamolum [INN-Latin]; RH 01842; SpecPlus_000775; SPECTRUM211175; NCGC00091423-01; EINECS 210-687-0; CCRIS 4567; NCGC00091423-03; m-Hydroxyacetanilide; BSPBio_002824; Spectrum5_000701; ZINC00001691; 00350_FLUKA; NSC3990; NSC 3990; DivK1c_006871; KBioSS_001456; 3-Hydroxyacetanilide; 3-(Acetylamino)phenol; Spectrum4_000086; 621-42-1; A7205_ALDRICH; NCGC00091423-02; N-(3-hydroxyphenyl)ethanamide; Metalid; BS 479; KBio1_001815; Spectrum_000976; Pedituss; Metacetamol; Metacetamol [BAN:INN]; Acetamide, N-(3-hydroxyphenyl)-; KBio2_004024; Pyrapap; KBio2_006592; m-(Acetylamino)phenol; KBio2_001456; InChI=1/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10; Spectrum2_000517; SPBio_000473; AI3-01929; BRN 0907998; N-Acetyl-m-aminophenol; KBioGR_000352; Metacetamolo [DCIT]; Spectrum3_001262; m-Acetamidophenol; KBio3_002324 |
C8H9NO2 |
151.16 |
CC(=O)NC1=CC(=CC=C1)O |
|
TCMBANKIN005271 |
anemonin |
1,2-Cyclobutanediacrylic acid, 1,2-dihydroxy-, di-gamma-lactone; CHEBI:80791; 508-44-1; UNII-G99XG5B674 component JLUQTCXCAFSSLD-NXEZZACHSA-N; AJ-28210; (5S,6S)-1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione; Anemonine; 5-19-05-00101 (Beilstein Handbook Reference); Pulsatilla camphor; 1,7-Dioxadispiro(4.0.4.2)dodeca-3,9-diene-2,8-dione, trans-; BRN 0009390; Anemonin; C16913; ZINC1609644; MolPort-020-006-010; Anemone camphor |
C10H8O4 |
192.17 |
C1CC2(C13C=CC(=O)O3)C=CC(=O)O2 |
|
TCMBANKIN005290 |
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methyl-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methyl-phenoxy)oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methyl-phenoxy)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)tetrahydropyran-3,4,5-triol |
C13H18O7 |
286.28 |
CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005364 |
Phenylephrine |
|
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN005365 |
indole-3-acetonitrile-6-o-β-D-glucopyranoside_qt |
|
|
172.2 |
|
|
TCMBANKIN005416 |
β-oplopenone |
beta-oplopenone |
C15H24O |
220.35 |
CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C |
|
TCMBANKIN005431 |
2-propenoic acid,3-(4'-hydroxyphenyl)-(4-carboxyl)-phenyl ester |
|
|
290.34 |
|
|
TCMBANKIN005454 |
α-turmerone |
|
C15H22O |
218.33 |
|
|
TCMBANKIN005553 |
2 - methyl - 3 - (2 - propenyl) - phenol |
|
|
148.22 |
|
|
TCMBANKIN005653 |
Glypallichalcone |
(E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)-, (E)-; (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 4-Hydroxy-2,4'-dimethoxychalcone; AC1NSW0O; glypallichalcone; 4-Hydroxy-2,4/'-dimethoxychalcone; LMPK12120432; 146763-58-8 |
C17H16O4 |
284.31 |
COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)O)OC |
|
TCMBANKIN005658 |
d-Dihydrocarvone |
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2theta-trans)-; EINECS 226-872-4; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-; 5524-05-0; 5948-04-9; (2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-one; trans-2-Methyl-5-(1-methylethenyl)cyclohexanone; ZINC00967816; LMPR01020081; (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one; p-MENTH-8-EN-2-ONE, E-; (1R,4R)-Dihydrocarvone; (E)-dihydrocarvone; C11398; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-; (2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
C10H16O |
152.23 |
CC1CCC(CC1=O)C(=C)C |
|
TCMBANKIN005669 |
2,3,4,7-tetramethoxyxanthone |
2,3,4,7-tetramethoxy-9-xanthenone; AIDS-073387; AIDS073387; 2,3,4,7-tetramethoxyxanthen-9-one; 9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-; NCI60_014913; NSC643978 |
C17H16O6 |
316.3 g/mol |
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC |
|
TCMBANKIN005707 |
Calamendiol |
calamendiol |
C15H26O2 |
238.37 g/mol |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN005712 |
Agidol 7 |
Phenol, 2,2'-methylenebis[6-tert-butyl-4-ethyl-; 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxy-phenyl)methyl]-4-ethyl-phenol; Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-ethyl-; AO 425; BRN 2016207; Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane; Antage W 500; 2,2'-METHYLENEBIS(6-T-BUTYL-4-ETHYLPHENOL); Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-; Plastanox 425 Antioxidant; Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane; 2,2′-Methylenebis(6-tert-butyl-4-ethylphenol); Nocrac NS 5; Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-; NSC 7782; WLN: 1X1&1&R BQ F2 C1R BQ D2 CX1&1&1; Usaf cy-6; 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol; 88-24-4; Antioxidant 425; ST029251; 2,2-Methylenebis(4-ethyl-6-t-butylphenol); Yoshinox 425; CCRIS 7788; EINECS 201-814-0; AI3-25275; 2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol); HSDB 5257; Cyanox 425; 413143_ALDRICH; 2-tert-butyl-6-(3-tert-butyl-5-ethyl-2-hydroxy-benzyl)-4-ethyl-phenol; 2,2'-Methylenebis(ethyl-6-tert-butylphenol); ZINC01688367; 6,6'-Di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol; 76723-54-1; 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol); 4-06-00-06806 (Beilstein Handbook Reference); 2,2'-Methylenebis(6-tert-butyl-4-ethylphenol); Chemanox 22; NSC7782; Plastanox 425 |
C25H36O2 |
368.55 |
CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O |
|
TCMBANKIN005740 |
(-)-Citronellal |
(S)-(-)-Citronellal; ZINC01532245; C11384; (S)-3,7-Dimethyloct-6-enal; (3S)-3,7-dimethyloct-6-enal; (S)-3,7-dimethyl-6-octenal; LMPR01020075; (−)-Citronellal; (S)-(−)-Citronellal; nchembio882-comp8; 5949-05-3; 27468_FLUKA; CHEBI:368; (3S)-3,7-dimethyl-6-octenal; 373753_ALDRICH |
C10H18O |
154.25 g/mol |
CC(CCC=C(C)C)CC=O |
|
TCMBANKIN005741 |
Istidina |
EINECS 200-745-3; (S)-2-Amino-3-(4-imidazolyl)propionic acid; HISTIDINE, L-; 35558-59-9; S-Histidine; L-Histidin; Polyhistidine; (L)-Histidine; FEMA No. 3694; 54166-13-1; 53319_FLUKA; (2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid; AI3-26558; NSC 137773; 1H-Imidazole-4-propanoic acid, alpha-amino-, (S)-; H8000_SIAL; (S)-alpha-Amino-1H-imidazole-4-propionic acid; Histidine (USP/INN); 35479-49-3; L-Histidine, homopolymer; 6459-59-2 (MONOHYDROCHLORIDE); D00032; Histidina [INN-Spanish]; Histidine [USAN:INN]; 30641-68-0; (2S)-2-amino-3-(3H-imidazol-4-yl)propionic acid; H3911_SIAL; Lopac-H-8125; L-beta-(4-Imidazolyl)alanin; CHEBI:15971; C00135; Histidinum [INN-Latin]; H6034_SIGMA; Lopac0_000566; 155304-24-8; 26062-48-6; (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid; L-Alanine, 3-(1H-imidazol-4-yl)-; InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11; 150-35-6; (S)-4-(2-Amino-2-carboxyethyl)imidazole; Poly(L-histidine); L-Histidine (JAN); AIDS020253; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; AIDS-020253; 4-(2-Amino-2-carboxyethyl)imidazole; Histidine (VAN); 45955-20-2; 1H-Imidazole-4-alanine, (S)-; alpha-Amino-4(or 5)-imidazolepropionic acid; HSDB 1810; HIS NH3+ COOH; alpha-Amino-1H-imidazole-4-propionic acid, (S)-; Polyhiustidine; Imidazole C-4(5) deriv. 5; L-beta-(4-Imidazolyl)-alpha-alanin; NCGC00015518-01; Anti-rheuma |
C6H9N3O2 |
155.15 g/mol |
C1=C(NC=N1)CC(C(=O)O)N |
|
TCMBANKIN005793 |
Mesotrihydroxypiperidine |
mesotrihydroxypiperidine |
C5H11NO3 |
133.15 |
|
|
TCMBANKIN005796 |
secologanic acid_qt |
|
|
212.22 |
|
|
TCMBANKIN005807 |
trans-3,5-dimethyl-1,6-octadien |
|
|
138.28 |
|
|
TCMBANKIN005817 |
Yinyanghuo B |
yinyanghuo b |
C25H26O6 |
422.5 g/mol |
CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)O)C |
|
TCMBANKIN005839 |
Actinidine |
C09910; actinidine; (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyridine; 5H-2-Pyrindine, 6,7-dihydro-4,7-dimethyl-, (S)-; CHEBI:2443; (7S)-4,7-dimethyl-2-pyrindan; (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine; 524-03-8 |
C10H13N |
147.22 |
CC1CCC2=C1C=NC=C2C |
|
TCMBANKIN005871 |
9-Undecenoic acid,2,6,10-trimethyl- |
|
C14H26O2 |
226.35 g/mol |
CC(CCCC(C)C(=O)O)CCC=C(C)C |
|
TCMBANKIN005872 |
ALLYLBENZENE |
2-Propenylbenzene; Allylbenzene; 57807-91-7; EINECS 206-095-7; 300-57-2; 3-Phenyl-1-propene; Benzene, propenyl-; A29402_ALDRICH; 4-05-00-01362 (Beilstein Handbook Reference); InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H; 128961-80-8; 05840_FLUKA; ZINC01561526; 1-Benzylethene; NSC 18609; Benzene, allyl-; NSC18609; WLN: 1U2R; 1-Phenyl-2-propene; BRN 1098501; prop-2-enylbenzene; 3-Phenylpropene; Benzene, 2-propenyl-; 1-Propene, 3-phenyl- |
C9H10 |
118.18 |
C=CCC1=CC=CC=C1 |
|
TCMBANKIN005905 |
Dicumene |
NSC34859; (1,1,2-trimethyl-2-phenylpropyl)benzene; AI3-23740; NSC 34859; (2,3-dimethyl-3-phenylbutan-2-yl)benzene; alpha,alpha'-Dicumyl; Butane, 2,3-dimethyl-2,3-diphenyl-; Bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-; 1,1'-(1,1,2,2-Tetramethylethylene)dibenzene; .alpha.,.alpha.'-Dicumyl; (2,3-dimethyl-3-phenyl-butan-2-yl)benzene; ST5406072; 1889-67-4; Bibenzyl, alpha,alpha,alpha',alpha'-tetramethyl- (8CI); (1,1,2-trimethyl-2-phenyl-propyl)benzene; EINECS 217-568-2; 2,3-Dimethyl-2,3-diphenylbutane; Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- |
C18H22 |
238.37 |
CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2 |
|
TCMBANKIN005952 |
geniposidie acid_qt |
Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt |
C16H22O10 |
374.34 |
|
|
TCMBANKIN005963 |
1,7-diphenyl-5-hydroxy-4,6-heptadien-3-one |
1,7-Diphenyl-5-hydroxy-4, 6-heptadien-3-one |
C19H18O |
262.35 |
C1=CC=C(C=C1)CCC(=O)C=C(C=CC2=CC=CC=C2)O |
|
TCMBANKIN005986 |
2-Methyl-N-phenylmaleimide |
337765_ALDRICH; 3-methyl-1-phenylpyrrole-2,5-dione; 3-methyl-1-phenyl-3-pyrroline-2,5-quinone; A0177/0007996; EU-0050672; 3-methyl-1-phenyl-pyrrole-2,5-dione; ZINC00058465 |
C10H10O2 |
162.19 |
CC1=CC(=O)N(C1=O)C2=CC=CC=C2 |
|
TCMBANKIN005990 |
L-Phenylalanine |
|
C9H11NO2 |
165.19 g/mol |
C1=CC=C(C=C1)CC(C(=O)O)N |
|
TCMBANKIN006009 |
(2R)-5-methylhexan-2-ol |
ZINC02031629 |
C7H16O |
116.2 |
|
|
TCMBANKIN006011 |
Methyl veratrate |
EINECS 218-424-1; 3,4-Dimethoxybenzoic acid methyl ester; Veratric acid, methyl ester (8CI); Veratric acid, methyl ester; 2150-38-1; 197955_ALDRICH; InChI=1/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H; Benzoic acid, 3,4-dimethoxy-, methyl ester; ST5406427; NSC 15668; Methyl 3,4-dimethoxybenzoate; AI3-20957; NSC15668; ZINC00406991; methyl veratrate |
C10H12O4 |
196.2 |
COC1=C(C=C(C=C1)C(=O)OC)OC |
|
TCMBANKIN006022 |
1,2-Cyclohexanediol,1-methyl-4-(1-methylethyl) |
|
C10H20O2 |
172.26 g/mol |
CC(C)C1CCC(C(C1)O)(C)O |
|
TCMBANKIN006027 |
cubebinone |
|
C23H26O8 |
430.45 |
COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN006094 |
sanggenone H |
|
C20H18O6 |
354.35 |
CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
|
TCMBANKIN006112 |
(3S,3aS,8aR)-3-hydroxy-5-isopropylidene-3-methyl-8-methylene-2,3a,4,8a-tetrahydro-1H-azulen-6-one |
(3S,3aS,8aR)-3-hydroxy-3-methyl-8-methylidene-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one |
C15H22O2 |
234.33 |
|
|
TCMBANKIN006116 |
Adoxosidic acid_qt |
|
|
213.23 |
|
|
TCMBANKIN006118 |
NEOPENTANE |
1,1,1-Trimethylethane; 2,2-Dimethylpropane [UN2044] [Flammable gas]; 463-82-1; BRN 1730722; EINECS 207-343-7; Tetramethylmethane; 2,2-Dimethylpropane; UN2044; tert-Pentane; HSDB 110; Propane, 2,2-dimethyl-; 4-01-00-00333 (Beilstein Handbook Reference); (CH3)4C; CHEBI:30358 |
C5H12 |
72.15 |
CC(C)(C)C |
|
TCMBANKIN006125 |
3,3-Dimethylhexane |
NSC74174; 3,3-DIMETHYL HEXANE; NSC 74174; Hexane, 3,3-dimethyl- (8CI)(9CI); 563-16-6; Hexane, 3,3-dimethyl-; EINECS 209-243-9 |
C8H18 |
114.23 |
CCCC(C)(C)CC |
|
TCMBANKIN006130 |
cis-p-2-menthen- 1-ol |
4beta-tert-Butyl-2-cyclohexen-1beta-ol; (1R,4S)-4-tert-butyl-1-cyclohex-2-enol; (1R,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-; (1R,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; cis-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; cis-p-2-menthen-1-ol; (1R,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-; cis-p-2-Menthen-1-ol; cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol; EINECS 249-860-0; AC1O5388; (1R,4S)-4-tert-butylcyclohex-2-en-1-ol; NGXNAIZTJAUMGV-BDAKNGLRSA-N; 29803-82-5 |
C10H18O |
154.25 g/mol |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN006143 |
reptoside_qt |
|
C17H26O10 |
390.38 |
|
|
TCMBANKIN006199 |
dehydeoacetic acid |
|
C8H8O4 |
168.15 |
|
|
TCMBANKIN006228 |
3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
3-[(4-keto-3,5-dimethoxy-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
|
350.4 |
|
|
TCMBANKIN006243 |
3,3-Dimethylbutylamine |
3,3-DIMETHYLBUTANAMINE; EINECS 223-353-4; 59367-75-8; 15673-00-4; 3,3-dimethylbutan-1-amine; 1-butanamine, 3,3-dimethyl-; 1,2,2-Trimethylpropylamine; EINECS 239-749-5; 183113_ALDRICH; InChI=1/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H |
C6H15N |
101.19 |
CC(C)(C)CCN |
|
TCMBANKIN006258 |
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinylcyclohexene |
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene; (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-yl-cyclohexene; (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene |
C15H24 |
204.35 |
|
|
TCMBANKIN006293 |
3,3,5-trimethylheptane |
|
C10H22 |
142.28 |
CCC(C)CC(C)(C)CC |
|
TCMBANKIN006300 |
(3R)-undec-1-en-3-ol |
|
C11H22O |
170.29 |
|
|
TCMBANKIN006316 |
(R)-2-butanol |
(-)-2-butanol; 14898-79-4; (R)-Butan-2-ol; (R)-(−)-sec-Butyl alcohol; (2R)-butan-2-ol; (R)-(-)-sec-butyl alcohol; (R)-(-)-2-butanol; CHEBI:35686; 236691_ALDRICH; EINECS 238-967-8; ZINC01622055; (R)-(−)-2-Butanol |
C4H10O |
74.12 |
CCC(C)O |
|
TCMBANKIN006367 |
1,1-dimethylbutylbenzene |
1985-57-5; Benzene, (1,1-dimethylbutyl)-; 2-methylpentan-2-ylbenzene; (1,1-Dimethylbutyl)benzene; NSC245057 |
C12H18 |
162.27 g/mol |
CCCC(C)(C)C1=CC=CC=C1 |
|
TCMBANKIN006372 |
()-alpha-Longipinene |
(1R,2S,7R,8R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02.8]undec-9-ene; 62638_FLUKA |
|
204.39 |
|
|
TCMBANKIN006375 |
7-Acetoxy-2-methylisoflavone |
STOCK1N-08402; Oprea1_280944; acetic acid (2-methyl-4-oxo-3-phenyl-7-chromenyl) ester; acetic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester; 3211-63-0; 7-acetoxy-2-methylisoflavone; SMR000387028; ZINC00189892; Oprea1_018493; MLS001049043; NSC108339; (2-methyl-4-oxo-3-phenylchromen-7-yl) acetate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) ethanoate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) acetate |
C18H14O4 |
294.3 |
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3 |
|
TCMBANKIN006403 |
Butyl tiglate |
AI3-33792; Butyl 2-methyl-2-butenoate; (E)-2-methylbut-2-enoic acid butyl ester; Butyl 2-methylcrotonate (E)-; EINECS 232-086-2; 2-Butenoic acid, 2-methyl-, butyl ester, (2E)-; butyl (E)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, butyl ester, (E)-; n-Butyl tiglate; 7785-66-2 |
C9H16O2 |
156.22 |
CCCCOC(=O)C(=CC)C |
|
TCMBANKIN006447 |
Xanthomicrol |
NCGC00169227-01; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one; NSC 79323; CTK4D2076; LMPK12111447; AIDS-071758; 3IN82Y8CAA; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-; CHEBI:35047; BDBM50412279; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-chromone; AC1Q6AJ4; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one; SCHEMBL6257160; AIDS071758; 4',5-dihydroxy-6,7,8-trimethoxyflavone; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-chromen-4-one; 16545-23-6; C14476; xanthomicrol; CHEMBL476121; UNII-3IN82Y8CAA; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4-chromenone; AK544883; LS-193898; DTXSID20167947; NSC79323; BRD-K34022850-001-01-8; AC1L2JGB; AKOS030525194; ACon1_000922 |
C18H16O7 |
344.32 |
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC |
|
TCMBANKIN006459 |
Butyrone |
NSC8692; Dipropyl ketone [UN2710] [Flammable liquid]; NSC 8692; Heptan-4-one; Dipropyl ketone; Propyl ketone; EINECS 204-608-9; UN2710; 46204_RIEDEL; WLN: 3V3; DI(N-PROPYL) KETONE; 4-Heptanone; 4-Heptanone (natural); BRN 1699049; InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H; ZINC01648177; 101745_ALDRICH; FEMA No. 2546; Di-n-propyl ketone; 4-01-00-03323 (Beilstein Handbook Reference); W254606_ALDRICH; AI3-15181; 123-19-3 |
C7H14O |
114.19 |
CCCC(=O)CCC |
|
TCMBANKIN006470 |
Yinyanghuo A |
SCHEMBL3679541; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl)-, (-)-; 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one; 174391-72-1; 5,7-dihydroxy-8'-(2-hydroxy-3-methylbut-3-en-1-yl)-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one; AC1NSSZB; CHEMBL462969; CHEBI:66492; yinyanghuo a; LMPK12110428 |
C25H24O6 |
420.5 g/mol |
CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O |
|
TCMBANKIN006471 |
1-oxaspiro-[2,5]octane,5,5-dimethyl-4-(3-methyl-1,3-butadienyl |
|
|
206.36 |
|
|
TCMBANKIN006472 |
(3R,5S)-3,5-dimethyltetrahydrofuran-2-one |
(3R,5S)-3,5-dimethyloxolan-2-one; (3R,5S)-3,5-dimethyl-2-tetrahydrofuranone; InChI=1/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s |
C6H10O2 |
114.14 g/mol |
CC1CC(OC1=O)C |
|
TCMBANKIN006528 |
gem-Dimethylcyclopentane |
1,1-Dimethylcyclopentane; 1638-26-2; NSC 74145; Cyclopentane, 1,1-dimethyl-; Cyclopentane, 1,1-dimethyl- (8CI)(9CI); EINECS 216-673-0; NSC74145; ghl.PD_Mitscher_leg0.791; InChI=1/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H |
C7H14 |
98.19 |
CC1(CCCC1)C |
|
TCMBANKIN006570 |
divaricataester,b |
|
|
346.41 |
|
|
TCMBANKIN006575 |
Epi-bicyclosesauiphellandrene |
(+)-Epi-bicyclosesqulphellandrene |
C15H24 |
204.35 |
|
|
TCMBANKIN006593 |
noririsflorentin |
|
C19H16O8 |
372.33 |
|
|
TCMBANKIN006653 |
dehydrocorydaline |
CHEBI:81342; BG01347441; LS-43470; FT-0624497; 10605-03-5 (chloride); 8095AH; ZINC597214; Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-; BERBINIUM, 7,8,13,13a-TETRADEHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-; MolPort-020-006-016; 9323AF; DHC; 30045-16-0; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl- (9CI); BRN 1556798; HY-N0674; AKOS030526131; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium; CHEMBL1917176; 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium; AK546656; C17790; Q-100383; AC1L1SAF; SCHEMBL14513602; N2090; Dehydrocorydaline; 5-21-06-00206 (Beilstein Handbook Reference); C22H24NO4; 3,4,10,11-TETRAMETHOXY-13-METHYL-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM; Dehydrocorydalin |
C22H24NO4+ |
366.4 g/mol |
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC |
|
TCMBANKIN006706 |
2,4-dichloro-5-methoxy-3-methylphenol |
2,4-dichloro-5-methoxy-3-methyl-phenol |
C8H8Cl2O2 |
207.05 g/mol |
CC1=C(C(=CC(=C1Cl)OC)O)Cl |
|
TCMBANKIN006744 |
E-6-O-p-methoxycinnamoyl scandoside methyl ester_qt |
|
C26H30O13 |
550.51 |
|
|
TCMBANKIN006754 |
MLT |
NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 |
C4H6O5 |
134.09 |
C(C(C(=O)O)O)C(=O)O |
|
TCMBANKIN006769 |
1,6,7-Trihydroxy-3-methoxy-anthraquinone |
|
|
286.25 |
|
|
TCMBANKIN006807 |
Trimethylphosphine oxide |
Me3PO; hydroxy-trimethylphosphanium; dimethylphosphorylmethane; hydroxy-trimethylphosphonium; InChI=1/C3H9OP/c1-5(2,3)4/h1-3H; (CH3)3PO; EINECS 211-633-9; hydroxy-trimethyl-phosphanium; hydroxy-trimethyl-phosphonium; ZINC01845838; 676-96-0 |
C3H9OP |
92.08 |
CP(=O)(C)C |
|
TCMBANKIN006808 |
()-N-Methylpseudoephedrine |
(1S,2S)-()-N-Methylpseudoephedrine; (1S,2S)-2-dimethylamino-1-phenylpropan-1-ol; 290041_ALDRICH; (1S,2S)-2-Dimethylamino-1-phenylpropanol; (1S,2S)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN006811 |
(6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
(6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione |
C18H16O5 |
312.32 |
|
|
TCMBANKIN006818 |
Propranolol, L- |
KBio3_000740; BPBio1_001200; KBioSS_000380; BPBio1_001236; KBio2_002948; NCGC00024813-03; BCBcMAP01_000208; KBio2_005516; (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; Prestwick2_001081; Bio2_000360; Prestwick3_001081; BSPBio_001040; PDSP2_000756; Lopac0_001023; EINECS 224-095-5; 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL; (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; BSPBio_001090; Prestwick0_001081; Tocris-0834; IDI1_002115; Prestwick3_001075; BSPBio_001122; (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; nchembio790-comp4; 4199-09-1; SPBio_003021; NCGC00024813-04; Bio2_000840; 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol; KBioGR_000380; NCGC00024813-01; Prestwick1_001081; KBio2_000380; PDSP1_000768; KBio3_000739 |
C16H21NO2 |
259.34 g/mol |
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O |
|
TCMBANKIN006824 |
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol |
(3R,5R)-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol |
C21H28O6 |
376.44 |
|
|
TCMBANKIN006846 |
khusilic acid |
|
C14H18O2 |
218.29 |
C=CC1CCC(=C)C2C1C=C(CC2)C(=O)O |
|
TCMBANKIN006848 |
Butoxysuccinic Acid |
|
|
190.22 |
|
|
TCMBANKIN006900 |
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate |
(1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester |
C17H26O10 |
390.38 |
|
|
TCMBANKIN006905 |
alpha-amorphene |
α-amorphene |
C15H24 |
204.35 |
|
|
TCMBANKIN006930 |
β-guaiene |
beta-guaiene; (+)-β-Guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN006943 |
histamine |
beta-Aminoethylglyoxaline; 3bu1; IDI1_002144; Bio1_000976; AIDS020252; Histamium; 2-(3H-imidazol-4-yl)ethanamine; Bio1_000487; 5-Imidazoleethylamine; 4-Imidazoleethylamine; NCGC00093371-03; Spectrum3_000452; BCBcMAP01_000250; KBio3_000854; L-histamine; 1H-Imidazole-4-ethanamine; Spectrum4_000960; BSPBio_001117; KBio2_003893; C00388; 2-(1H-imidazol-4-yl)ethanamine; KBio2_000457; KBioSS_000457; Histamine, Free Base; CCRIS 6535; SMR000059091; NSC33792; KBio2_003025; CHEBI:58432; 2-(4-Imidazolyl)ethylamine; BSPBio_002124; Istamina [Italian]; Ergamine; 2-(1H-imidazol-5-yl)ethylazanium; ZERO/004089; HSM; 4-(2-Aminoethyl)-1H-imidazole; Eramin; Spectrum_000845; CJ-15872; Histamine Base; histaminium; .beta.-Imidazolyl-4-ethylamine; histaminium cation; Bio1_001465; beta-Imidazolyl-4-ethylamine; NSC 33792; KBioGR_001580; 3rxh; SMP1_000151; WLN: T5M CNJ D2Z; Histamine [USAN]; Imidazole-4-ethylamine; beta-Aminoethylimidazole; Spectrum2_000665; KBioSS_001325; Ergotidine; KBio3_000853; 2-Imidazol-4-ylethylamine; SDCCGMLS-0066601.P001; 5-(2-Aminioethyl)-1H-imidazole; 2-(3H-imidazol-4-yl)ethylamine; peremin; A828600; 51-45-6; AIDS-020252; HSDB 3338; NCGC00015513-01; HISTAMINE; EINECS 200-100-6; KBio2_005593; Lopac0_000595; nchembio714-comp1; KBio1_000308; MLS000069447; CHEBI:18295; Lopac-H-7250; Ethylamine, 2-imidazol-4-yl-; KBio3_001344; Free histamine; IDI1_000308; H7125_SIGMA; 2-(1H-imidazol-4-yl)ethanaminium; KBioGR_000457; KBio2_006461; ST073926; 53290_FLUKA; FT-0669215; 2-(1H-imidazol-5-yl)ethylammonium; beta-aminothethylglyoxaline; Bio2_000389; Spectrum5_000796; SPBio_000729; Theramine; DivK1c_000308; KBio2_001325; NINDS_000308; NCGC00093371-04; Bio2_000869; Imidazole, 4-(2-aminoethyl)-; 2-(1H-imidazol-5-yl)ethanamine |
C5H9N3 |
111.15 |
C1=C(NC=N1)CCN |
|
TCMBANKIN006960 |
ZINC05063142 |
[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol |
C15H26O |
222.37 |
|
|
TCMBANKIN006987 |
Gulutamine |
25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) |
C5H9NO4 |
147.13 g/mol |
C(CC(=O)O)C(C(=O)O)N |
|
TCMBANKIN007072 |
80-57-9 |
Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-; (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; (1R,5R)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; EINECS 201-292-4; EPA Pesticide Chemical Code 128986; 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; NCGC00142604-01; ZINC00967600; AI3-23127 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN007095 |
Dibutyl acetal |
Acetaldehyde dibutyl acetal; Ethane, 1,1-dibutoxy-; 871-22-7; 1,1-Dibutoxyethane; WLN: 4OYO4; NSC 5314; EINECS 212-804-0; 1,1'-(Ethylidenebis(oxy))bisbutane; BRN 1698922; AI3-22404; 1,1-Di-n-butoxyethane; Di-n-butyl acetal; NSC5314; 6-Methyl-5,7-dioxaundecane; Acetaldehyde, dibutyl acetal; 1-(1-butoxyethoxy)butane; Butane, 1,1'-[ethylidenebis(oxy)]bis-; Butane, 1,1'-(ethylidenebis(oxy))bis- (9CI); 1,1'-(Ethylidenebis(oxy))dibutane |
C10H22O2 |
174.28 |
CCCCOC(C)OCCCC |
|
TCMBANKIN007097 |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinylquinuclidin-2-yl]methanol |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinyl-2-quinuclidinyl]methanol; (S)-[(4S,5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol |
C20H24N2O2 |
324.42 |
|
|
TCMBANKIN007175 |
Malonic ester |
PROPANEDIOIC ACID,DIETHYL ESTER (MALONIC ACID,DIETHYL ESTER); ST5214386; AI3-00656; Propanedioic acid, diethyl ester; Ethyl malonate; Carbethoxyacetic ester; NSC8864; ZINC01648281; FEMA No. 2375; EINECS 203-305-9; NSC 8864; InChI=1/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H; Ethyl methanedicarboxylate; Diethyl malonate; propanedioic acid diethyl ester; Methanedicarboxylic acid, diethyl ester; W237507_ALDRICH; D97754_ALDRICH; Malonic acid, diethyl ester; 105-53-3; malonic acid diethyl ester; 145601-68-9; Dicarbethoxymethane; Diethyl propanedioate; Ethyl propanedioate; Ethyl malonate (VAN); WLN: 2OV1VO2 |
C7H12O4 |
160.17 |
CCOC(=O)CC(=O)OCC |
|
TCMBANKIN007207 |
olibanumol,j |
|
|
460.82 |
|
|
TCMBANKIN007217 |
renifolin |
AC1NT00E; (2S,3R,4S,5S,6R)-2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
C18H24O7 |
352.38 |
CC1=CCC2=C(C=C(C(=C2C1)OC3C(C(C(C(O3)CO)O)O)O)C)O |
|
TCMBANKIN007268 |
HBR |
C00810; R,3-HYDROXYBUTAN-2-ONE; ZINC00895240; InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H; CHEBI:15686; (3R)-3-hydroxybutan-2-one; 2-BUTANONE,3-HYDROXY (DL) MFC4 H8 O2 |
C4H8O2 |
88.11 |
Br |
|
TCMBANKIN007287 |
sinodielides A |
|
|
232.35 |
|
|
TCMBANKIN007291 |
(2S)-2-methylenanthic acid |
(2S)-2-methylheptanoic acid |
C8H16O2 |
144.21 |
|
|
TCMBANKIN007332 |
2-Methylbenzoxazol |
AIDS-019654; Usaf ek-982; 2-Methylbenzoxazol [Czech]; ZINC00388067; NSC3824; 95-21-6; InChI=1/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H; EINECS 202-399-9; AIDS019654; 65880_FLUKA; 2-methyl-1,3-benzoxazole; 2-Methylbenzoxazole; NSC 3824; 108936_ALDRICH; Benzoxazole, 2-methyl-; WLN: T56 BN DOJ C1 |
C8H7NO |
133.15 |
CC1=NC2=CC=CC=C2O1 |
|
TCMBANKIN007403 |
()-Styrene glycol |
(S)-()-Phenylethylene glycol; InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H; (1S)-1-phenylethane-1,2-diol; (S)-()-1-Phenyl-1,2-ethanediol; ZINC00391852; 302155_ALDRICH; TE5119; 1-phenylethane-1,2-diol |
C8H10O2 |
138.16 |
C1=CC=C(C=C1)C(CO)O |
|
TCMBANKIN007442 |
p-menth-4-en-3-one |
AN-19961; 5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one; 2-isopropyl-5-methyl-cyclohex-2-en-1-one; 5-methyl-2-propan-2-ylcyclohex-2-en-1-one; 2-Isopropyl-5-methyl-2-cyclohexen-1-one #; p-Menth-4-en-3-one; AC1L321A; 5-methyl-2-propan-2-yl-cyclohex-2-en-1-one; 5-methyl-2-isopropyl-2-cyclohexen1-one; SCHEMBL6360973; 2-isopropyl-5-methylcyclohex-2-enone; OAYBZGPDRAMDNF-UHFFFAOYSA-N; AC1Q6CEV; CTK1H2606; 5113-66-6; 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- |
C10H16O |
152.23 |
CC1CC=C(C(=O)C1)C(C)C |
|
TCMBANKIN007450 |
p-tert-Butylaniline |
4-tert-Butylaniline; EINECS 212-215-9; 769-92-6; 4-t-Butylbenzeneamine; SBB007738; 209864_ALDRICH; FR-0226; 19560_FLUKA; ZINC04692849; Benzenamine, 4-(1,1-dimethylethyl)-; (4-tert-butylphenyl)amine |
C10H15N |
149.23 |
CC(C)(C)C1=CC=C(C=C1)N |
|
TCMBANKIN007464 |
3,4,8,10-tetrahydroxy-5H-chromeno[3,2-c]isochromen-7-one |
|
|
314.26 |
|
|
TCMBANKIN007479 |
Neouralenol |
2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-4-chromenone; 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one; XHGNOEWBXVPYDM-UHFFFAOYSA-N; 4H-Benzopyran-4-one, 2-(3,4-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-3,6,7-trihydroxy-; 139163-16-9; neouralenol; AC1NUP13; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxychromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromone; DTXSID10160947 |
C20H18O7 |
370.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)C |
|
TCMBANKIN007494 |
METHYLCYCLOHEXENE |
.alpha.-Methylcyclohexene; 1-Methyl-1-cyclohexene; InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H; 2,3,4,5-Tetrahydrotoluene; 129801_ALDRICH; Cyclohexene, methyl-; Cyclohexene, 1-methyl-; NSC 66539; AI3-52478; 1-Methylcyclohexene; 1335-86-0; NSC66539; 591-49-1; ghl.PD_Mitscher_leg0.949; EINECS 215-640-8; alpha-Methylcyclohexene; EINECS 209-718-0; 66430_FLUKA |
C7H12 |
96.17 |
CC1=CCCCC1 |
|
TCMBANKIN007508 |
(2S,3S,3aR)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one |
(2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one |
C20H20O5 |
340.37 |
|
|
TCMBANKIN007531 |
(2R,3R)-3-hydroxyproline |
(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid; (2R,3R)-3-hydroxy-2-pyrrolidinecarboxylic acid |
C5H9NO3 |
131.13 |
C1CNC(C1O)C(=O)O |
|
TCMBANKIN007561 |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]pyrocatechol |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol |
C16H16O3 |
256.3 |
|
|
TCMBANKIN007630 |
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy] |
|
C13H24O3 |
228.33 |
|
|
TCMBANKIN007637 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN007657 |
Podophyllotoxone |
477-49-6; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione; C10875; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone; podophyllotoxone |
C22H20O8 |
412.39 |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN007726 |
DMBC |
Benzeneethanol, alpha,alpha-dimethyl-; 4-06-00-03290 (Beilstein Handbook Reference); 1,1-Dimethyl-2-phenylethyl alcohol; .alpha.,.alpha.-Dimethylphenethyl alcohol, tech.; alpha,alpha-Dimethylbenzeneethanol; 170275_ALDRICH; .beta.-Phenyl-tert-butyl alcohol; PHENETHYL ALCOHOL, alpha,alpha-DIMETHYL-; 2-Methyl-1-phenyl-2-propanol; NSC27228; ST5409452; Benzyl dimethyl carbinol; Benzyldimethylcarbinol; Benzeneethanol, .alpha.,.alpha.-dimethyl-; FEMA No. 2393; DMBC (VAN); AI3-02949; beta-Phenyl-tert-butyl alcohol; BRN 1855608; WLN: QX1 & 1 & 1R; 2-Benzyl-2-propanol; 1,1-Dimethyl-2-phenylethanol; 1,1-Dimethylphenylethanol; Dimethylbenzylcarbinol; NSC 27228; alpha,alpha-Dimethylphenethanol; InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H; 2-Hydroxy-2-methyl-1-phenylpropane; ZINC01680788; EINECS 202-896-0; .alpha.,.alpha.-Dimethylphenethanol; Phenethyl alcohol, .alpha.,.alpha.-dimethyl-; 100-86-7; Phenyl-tert-butanol; alpha,alpha-Dimethylphenethyl alcohol; NSC46103; Benzylpropyl alcohol; .alpha.,.alpha.-Dimethylphenethyl alcohol; NSC5236; 2-methyl-1-phenyl-propan-2-ol; 2-Methyl-1-phenylpropan-2-ol |
C10H14O |
150.22 |
CC(C)(CC1=CC=CC=C1)O |
|
TCMBANKIN007765 |
GRO |
(R)-(−)-2-Phenylpropionic acid; (2R)-2-phenylpropionic acid; (R)-HTA; (R)-(−)-Hydratropic acid; (2R)-2-phenylpropanoic acid; 279897_ALDRICH; R-2-PHENYL-PROPRIONIC ACID |
C9H10O2 |
150.17 |
CC(C1=CC=CC=C1)C(=O)O |
|
TCMBANKIN007780 |
(+)-Medioresinol di-O-beta-D-glucopyranoside_qt |
|
|
388.45 |
|
|
TCMBANKIN007790 |
(E)-5-methyloct-5-en-1-ol |
|
|
142.27 |
|
|
TCMBANKIN007801 |
(2R)-3-oxo-2-phenylbutanenitrile |
ZINC00080804; (2R)-3-keto-2-phenyl-butyronitrile; (2R)-3-oxo-2-phenyl-butanenitrile |
C10H9NO |
159.18 |
|
|
TCMBANKIN007821 |
quercetin-3-O-β-D-arabinopyranoside |
|
|
434.38 |
|
|
TCMBANKIN007850 |
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide |
SMR000008675; BAS 00342395; Benzamide, N-(2,5-dimethoxyphenyl)-4-methoxy-; N-(2,5-dimethoxyphenyl)-4-methoxy-benzamide; N-(2,5-Dimethoxy-phenyl)-4-methoxy-benzamide; Oprea1_081808; ZINC00335062; STK018033; Oprea1_488227; MLS000026764 |
C16H17NO4 |
287.31 g/mol |
COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC |
|
TCMBANKIN007883 |
6-O-E-Feruloylajugol_qt |
|
|
362.41 |
|
|
TCMBANKIN007894 |
perilloside c_qt |
|
|
154.28 |
|
|
TCMBANKIN007905 |
Acetol |
Hydroxyacetone; Pyruvinalcohol; ZINC00895664; AI3-37788; Hydroxypropanone; 2-Propanone, 1-hydroxy-; 4-01-00-03977 (Beilstein Handbook Reference); BRN 0605368; WLN: Q1V1; Hydroxy-2-propanone; ACETYLCARBINOL; Acetone alcohol; 2-Oxopropanol; 2-Ketopropyl alcohol; 116-09-6; Pyruvic alcohol; ST5214599; 54142_FLUKA; 1-hydroxyacetone; 138185_ALDRICH; Methylketol; NSC 102497; 1-hydroxypropan-2-one; Methanol, acetyl-; C05235; NSC102497; EINECS 204-124-8; CHEBI:27957; 1-Hydroxy-2-propanone; Acetylmethanol; Hydroxymethyl methyl ketone |
C3H6O2 |
74.08 |
CC(=O)CO |
|
TCMBANKIN007911 |
Ligurobustoside N_qt |
|
|
462.49 |
|
|
TCMBANKIN007989 |
cyclo(S)-Pro-(R)-Leu |
|
C31H42N6O7 |
|
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 |
|
TCMBANKIN008005 |
Imidazole, 2-acetoxy- |
1H-imidazol-2-yl ethanoate; 1H-imidazol-2-yl acetate; acetic acid 1H-imidazol-2-yl ester |
C5H6N2O2 |
126.11 g/mol |
CC(=O)OC1=NC=CN1 |
|
TCMBANKIN008058 |
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol |
2-(2-hydroxy-4-methyl-phenyl)propane-1,2,3-triol; ACon1_001733 |
C10H14O4 |
198.22 g/mol |
CC1=CC(=C(C=C1)C(CO)(CO)O)O |
|
TCMBANKIN008084 |
Daturic acid |
67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid |
C17H34O2Pb |
478 g/mol |
CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
|
TCMBANKIN008135 |
Propyl cinnamate |
Propyl 3-phenylpropenoate; propyl 3-phenylprop-2-enoate; NSC 406146; Propyl beta-phenylacrylate; C06360; 7778-83-8; WLN: 3OV1U1R; Propyl 3-phenyl-2-propenoate; (E)-3-phenylacrylic acid propyl ester; propyl (E)-3-phenylprop-2-enoate; NSC406146; FEMA No. 2938; 3-phenylprop-2-enoic acid propyl ester; AI3-02024; AIDS076309; 2-Propenoic acid, 3-phenyl-, propyl ester; 2-Propenoic acid, 3-phenyl-, propyl ester, (2E)-; ZINC01530406; (E)-3-phenylprop-2-enoic acid propyl ester; CINNAMIC ACID, PROPYL ESTER; EINECS 231-916-0; n-Propyl cinnamate; AIDS-076309; 3-phenylacrylic acid propyl ester; Propylester kyseliny skoricove [Czech] |
C12H14O2 |
190.24 |
CCCOC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN008138 |
(E)-1,7-bis-(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione |
|
|
370.43 |
|
|
TCMBANKIN008155 |
Bicyclo[3.3.0]octan-3-one, 7-ethylidene- |
|
C10H14O |
150.22 g/mol |
CC=C1CC2CC(=O)CC2C1 |
|
TCMBANKIN008160 |
TERT-BUTYLTOLUENE |
1-Methyl-2-tert-butylbenzene; 1-tert-Butyl-2-methylbenzene; 27138-21-2; NSC23694; 1074-92-6; o-tert-Butyltoluene; 2-tert-Butyltoluene; Benzene, (1,1-dimethylethyl)methyl-; Toluene, o-tert-butyl-; (1,1-Dimethylethyl)methylbenzene; Benzene, 1-(1,1-dimethylethyl)-2-methyl-; 1-tert-butyl-2-methyl-benzene |
C11H16 |
148.24 |
CC1=CC=CC=C1C(C)(C)C |
|
TCMBANKIN008219 |
7-Octen-4-ol |
oct-7-en-4-ol; 53907-72-5; AKOS011019332; 7-OCTEN-4-OL; 7-octen-4-ol; AC1L24QG; SCHEMBL2474318; CTK8J1312; 87830-31-7; MJWKMORBWQZWOT-UHFFFAOYSA-N |
C10H18O |
154.25 |
CCCC(CCC=C)O |
|
TCMBANKIN008282 |
hellicoside_qt |
|
C29H36O17 |
656.59 |
|
|
TCMBANKIN008300 |
DMPEC |
6,7-Dimethoxy-2-[2-(4'-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 117596-92-6; 6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone |
C20H20O5 |
340.37 |
COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC)OC |
|
TCMBANKIN008312 |
ISOPULEGOL |
59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(C(C1)O)C(=C)C |
|
TCMBANKIN008324 |
Pentanol-3 |
76950_FLUKA; 584-02-1; NSC8654; ZINC01648159; sec-inact.-Pentyl alcohol; Pentan-3-ol; 3-Pentanol; BRN 1730964; AI3-24335; 76948_FLUKA; Diethyl carbinol; WLN: QY2&2; sec-Pentanol; NSC 8654; 4-01-00-01662 (Beilstein Handbook Reference); 3-Pentyl alcohol; P8025_ALDRICH; EINECS 209-526-7 |
C5H12O |
88.15 |
CCC(CC)O |
|
TCMBANKIN008343 |
cepharamine |
Hasubanan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-; Cepharamine; 15444-26-5; DTXSID60165629 |
C19H23NO4 |
329.39 |
CN1CCC23C1(CCC4=C2C(=C(C=C4)OC)O)C=C(C(=O)C3)OC |
|
TCMBANKIN008350 |
Cyanidin-3-monogalactoside |
cyanidin-3-monogalactoside |
|
435.39 |
|
|
TCMBANKIN008355 |
Isochlorogenic acid B |
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid; Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-; (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; 14534-61-3; (1S,3R,4R,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid; C10468; ACon1_002212; isochlorogenic acid b; (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; Isochlorogenic acid b |
C25H24O12 |
516.45 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN008386 |
Methyl atratate |
Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; CBDivE_016254; 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester; beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester; beta-Resorcylic acid, 3,6-dimethyl-, methyl ester; MLS000517295; SMR000127412; 136218-95-6; EINECS 225-193-0; 4707-47-5; Methyl-3-methylorsellinate; Methyl beta-orcinolcarboxylate; Evernyl; Atraric acid;; Methyl beta-orcinolcarboxylate; Methyl 3,6-dimethylresorcylate; ZINC00239015; Methyl 2,4-dihydroxy-3,6-dimethylbenzoate; 2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester; methyl 2,4-dihydroxy-3,6-dimethyl-benzoate; .beta.-Resorcylic acid, 3,6-dimethyl-, methyl ester; ST5408246; AIDS097062; AIDS-097062; W523305_ALDRICH |
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN008393 |
brevicornin |
caohuoside D_qt |
C22H24O7 |
400.4 g/mol |
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)OC |
|
TCMBANKIN008405 |
(2S)-2-methylbutan-1-ol |
ZINC02040993; 65979_FLUKA; A83407_ALDRICH; (S)-(−)-2-Methylbutanol; (S)-(−)-2-Methyl-1-butanol; Prim. active amyl alcohol; 65980_FLUKA |
C5H12O |
88.15 |
CCC(C)CO |
|
TCMBANKIN008420 |
STOCK1N-58770 |
|
C16H18O9 |
354.31 |
|
|
TCMBANKIN008443 |
(3S)-3-methylhexane |
InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H |
C7H16 |
100.2 |
|
|
TCMBANKIN008452 |
(E)-Linalol pyranoxide |
linalool oxide C (trans-THP); (3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; (E)-Linallol oxide (pyran) |
C21H44 |
296.57 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN008454 |
Phenyl isobutyrate |
Isobutyric acid, phenyl ester; 2-methylpropanoic acid phenyl ester; 2-methylpropionic acid phenyl ester; phenyl 2-methylpropanoate |
C10H12O2 |
164.2 g/mol |
CC(C)C(=O)OC1=CC=CC=C1 |
|
TCMBANKIN008557 |
Isodecanol |
68526-85-2; ISODECYL ALCOHOL; EINECS 271-360-6; Alcohols, C9-11-iso-, C10-rich; 12758-52-0; 25339-17-7; 8-methylnonan-1-ol; 50973-08-5; Alcohols, C9-11-branched; HSDB 616; (C9-11) Branched aliphatic alcohols; EINECS 246-869-1; 68551-08-6 |
C10H21OH |
158.28 g/mol |
CC(C)CCCCCCCO |
|
TCMBANKIN008585 |
(E)-3-(3-hydroxy-4,5-dimethoxy-phenyl)acrylic acid |
(E)-3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid; (E)-3-(3-hydroxy-4,5-dimethoxy-phenyl)prop-2-enoic acid |
|
224.23 |
|
|
TCMBANKIN008591 |
(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene |
(1S,5S)-7,7-dimethyl-2-methylene-bicyclo[3.1.1]hept-3-ene; (1S,5S)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]hept-3-ene; (1S,5S)-7,7-dimethyl-2-methylidene-bicyclo[3.1.1]hept-3-ene |
C10H14 |
134.22 |
|
|
TCMBANKIN008600 |
(Z,E)-farnesol |
CHEBI:16774; 3790-71-4; (Z,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol; C03220; cis,trans-farnesol; (2-cis,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; (2Z,6E)-farnesol; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)-; (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; 2-cis,6-trans-Farnesol; cis,trans-.alpha.-Farnesol; (2-cis,6-trans)-farnesol |
C15H26O |
222.37 |
CC(=CCCC(=CCCC(=CCO)C)C)C |
|
TCMBANKIN008602 |
Cholanoic acid |
5.beta.-Cholanic acid; CHEBI:36238; Cholan-24-oic acid, (5beta)- (9CI); LMST04010441; Cholan-24-oic acid, (5.beta.)-; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid; NSC18161; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; Ursocholanic acid; 5beta-Cholanoic acid; 5beta-Cholan-24-oic acid (8CI); NSC 18161; Androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-; 5beta-Cholan-24-oic Acid; 5.beta.-Cholan-24-oic acid; L 596205-0; 5beta-Cholanic acid; Androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-; (5beta)-cholan-24-oic acid; 546-18-9; 5.beta.-Cholanoic acid; (5beta,17beta)-gamma-methylandrostane-17-butanoic acid |
C24H40O2 |
360.57 |
CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
|
TCMBANKIN008633 |
Isodecanoic acid |
8-methylnonanoic acid; EINECS 247-673-9; 59139-37-6; LMFA01020247; AI3-05976; 8-methylpelargonic acid; 28933-59-7; KM 08721; Nonanoic acid, 8-methyl-; M5153_SIGMA; 8-methyl-nonanoic acid; 26403-17-8 |
C10H20O2 |
172.26 g/mol |
CC(C)CCCCCCC(=O)O |
|
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
|
TCMBANKIN008648 |
methyl,3-o-feruloylquinate |
|
|
366.4 |
|
|
TCMBANKIN008660 |
cis,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN008665 |
Methyl succinate |
DBE-4 dibasic ester; W239607_ALDRICH; ST5214542; CCRIS 4803; FEMA No. 2396; Dimethylsuccinate; 14150_FLUKA; Dimethyl succinate; butanedioic acid dimethyl ester; HSDB 5370; NCGC00091530-01; EINECS 203-419-9; NSC 52209; AI3-02480; 106-65-0; ZINC01683870; LS-406; Dimethyl butanedioate; Methyl butanedioate; Butanedioic acid, dimethyl ester; Succinic acid, dimethyl ester; NSC52209; 112755_ALDRICH; InChI=1/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H; succinic acid dimethyl ester |
C6H10O4 |
146.14 |
COC(=O)CCC(=O)OC |
|
TCMBANKIN008692 |
Hendecynoic acid |
BRN 1704918; Undec-10-ynoic acid; EINECS 220-471-8; 22202-65-9; 4-02-00-01738 (Beilstein Handbook Reference); FR-2153; 406546_ALDRICH; LMFA01030618; SBB008483; 10-undecynoic acid; 10-HENDECYNOIC ACID |
C11H18O2 |
182.26 |
C#CCCCCCCCCC(=O)O |
|
TCMBANKIN008710 |
4-[(3R)-3-hydroxybutyl]phenol |
ZINC00506564 |
C10H14O2 |
166.22 |
CC(CCC1=CC=C(C=C1)O)O |
|
TCMBANKIN008720 |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione |
|
340.4 |
|
|
TCMBANKIN008737 |
Eupalitin |
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-chromenone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; eupalitin; 29536-41-2 |
C17H14O7 |
330.29 |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN008748 |
7'-n-butanol-N-trans-feruloyloctopamine |
|
|
385.5 |
|
|
TCMBANKIN008796 |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol |
C20H24O4 |
328.4 |
|
|
TCMBANKIN008809 |
aurantio-obtusin,6-o-beta-d-glucoside_qt |
|
|
332.33 |
|
|
TCMBANKIN008814 |
1,1,3-trimethylindene |
1H-Indene, 1,1,3-trimethyl-; 1,1,3-Trimethyl-1H-indene |
C12H14 |
158.24 g/mol |
CC1=CC(C2=CC=CC=C12)(C)C |
|
TCMBANKIN008855 |
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
360.4 |
|
|
TCMBANKIN008858 |
4-(2-Butyl)phenol |
|
C10H14O |
150.22 |
CCC(C)C1=CC=C(C=C1)O |
|
TCMBANKIN008887 |
d-isomenthone |
EINECS 214-813-5; (2R,5R)-2-isopropyl-5-methyl-1-cyclohexanone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-; (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropyl-5-methylcyclohexanone; 18309-28-9; 1196-31-2; (2R,5R)-2-isopropyl-5-methyl-cyclohexan-1-one; (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone; ZINC03860577; (+)-Isomenthone; (1R,4R)-p-menthan-3-one; EINECS 242-194-1; C11952; LMPR01020096; (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one; (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; CHEBI:36492; (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one |
C10H18O |
154.25 |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN008904 |
cyclohexyl-methoxy-dimethylsilane |
cyclohexyl-methoxy-dimethyl-silane |
|
172.38 |
|
|
TCMBANKIN008919 |
isoguvacine |
MLS000859962; Isoguvacine hydrochloride, solid; I02-4338; SR-01000075611-3; 1,2,3,6-tetrahydro-4-pyridinecarboxylicacidhydrochloride; Lopac-G-002; G-002; SY012592; KBio1_000115; SMR000326821; 1,2,3,6-tetrahydropyridine-4-carboxylic acid; IDI1_000115; NCGC00093946-02; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride; Tocris-0235; EU-0100561; Isoguvacine (hydrochloride); ISOGUVACINE HYDROCHLORIDE; NINDS_000115; 68547-97-7; SUWREQRNTXCCBL-UHFFFAOYSA-N; HY-100810; NCGC00024509-03; NCGC00093946-03; NCGC00015456-01; SCHEMBL7958625; TRA0081918; B6230; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride; MFCD00055192; NCGC00024509-01; TR-022104; SPECTRUM1502129; Biomol-NT_000254; Isoguvacine; LP00561; SR-01000075611; KBio3_002820; FT-0670465; I0871; Spectrum_001974; SC-49605; C13694; AX8223448; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride; AKOS025243370; BPBio1_000882; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr; KBio2_007667; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-; KS-00000AIF; MolPort-003-983-601; CCG-221865; BSPBio_003318; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid; Lopac0_000561; AKOS015847455; NCGC00093946-01; 64603-90-3 (Parent); AK154352; 1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acidhydrochloride; Tox21_500561; BN0277; KBio2_002531; SC-49604; AC1L4DMR; 1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride; CS-6967; SR-01000075611-1; DTXSID00218663; 1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride; KBioSS_002540; KBio2_005099; CHEMBL540303; Spectrum3_001869; Z-2044; NCGC00261246-01; DivK1c_000115; Isoguvacine HCl; 1,2,5,6-tetrahydroisonicotinic acid hydrochloride |
C6H9NO2 |
127.14 |
C1CNCC=C1C(=O)O |
|
TCMBANKIN008953 |
delta(sup 18)-Hirsutine |
(E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester; Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; 35467-43-7; (3-beta,16E)-16,17,18,19-Tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester; methyl (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; Corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester |
C22H26N2O3 |
366.45 |
COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
|
TCMBANKIN008961 |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
|
166.24 |
|
|
TCMBANKIN009004 |
4-[(1S)-1-hydroxy-2-methylaminoethyl]phenol |
CHEBI:33016; 4-[(1S)-1-hydroxy-2-methylamino-ethyl]phenol; (+)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol; (S)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol; InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H; 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol |
C9H13NO2 |
167.21 |
CNCC(C1=CC=C(C=C1)O)O |
|
TCMBANKIN009006 |
isoterihanine |
|
|
334.37 |
|
|
TCMBANKIN009007 |
1-OCTYNE |
32073-03-3; BRN 1734494; 74970_FLUKA; 244465_ALDRICH; oct-1-yne; InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H; 629-05-0; EINECS 211-069-3; Hexylacetylene; 4-01-00-01034 (Beilstein Handbook Reference) |
C8H14 |
110.2 |
CCCCCCC#C |
|
TCMBANKIN009017 |
Threonin |
89179_FLUKA; 48: PN: WO2004076659 FIGURE: 7 claimed sequence; D00041; 13095-55-1; Threonine, L- (8CI); 7013-32-3; L-Threonin; (2S)-threonine; CHEBI:16857; Threonine (VAN); Treonina [Spanish]; THREONINE (L); Threoninum [Latin]; T8625_SIAL; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; 36676-50-3; Threonine (USP); (2S,3R)-2-Amino-3-hydroxybutyric acid; Threonine, labeled with carbon-14, L-; C00188; L-(U-14C)Threonine; L-Threonine (JP15); 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; NSC 16589; T8441_SIGMA; (S)-Threonine; Threonine [USAN:INN]; L-Threonine (9CI); EINECS 200-774-1; threonin; L-alpha-amino-beta-hydroxybutyric acid; (2S,3R)-2-amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; NSC 46701; (2S,3R)-2-amino-3-hydroxy-butanoic acid; T4071_SIAL; (2S,3R)-2-amino-3-hydroxy-butyric acid |
C4H9NO3 |
119.12 g/mol |
CC(C(C(=O)O)N)O |
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
TCMBANKIN009035 |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
|
342.42 |
|
|
TCMBANKIN009064 |
PHA |
alpha-Aminohydrocinnamic acid, L-; C00079; NSC-9959; nchembio816-comp8; NCGC00013103; P2126_SIAL; beta-phenylalanine; FEMA No. 3585; Phenylalaninum [Latin]; NSC 79477; (S)-2-Amino-3-phenylpropanoic acid; (S)-2-Amino-3-phenylpropionic acid; L-Alanine, 3-phenyl-; NCGC00095047-01; (L)-Phenylalanine; Phenylalanine (VAN); (S)-alpha-Aminohydrocinnamic acid; alpha-Amino-beta-phenylpropionic acid, L-; (S)-alpha-Amino-benzenepropanoic acid; NCIStruc1_000204; Phenylalanine [USAN:INN:JAN]; Phenylalanine (USP/INN); 2-Amino-3-phenylpropionic acid, L-; NCI9959; MTY; 67675-33-6; EINECS 200-568-1; alpha-aminohydrocinnamic acid; (2S)-2-amino-3-phenyl-propionic acid; L-Phenylalanine (JP15); W358509_ALDRICH; Fenilalanina [Spanish]; CCRIS 6767; CHEBI:17295; (2S)-2-amino-3-phenylpropanoic acid; L-PHENYLALININE; NCGC00095047-02; Benzenepropanoic acid, alpha-amino-, (S)-; beta-Phenylalnine, (-)-; Hydrocinnamic acid, alpha-amino-; P8740_SIAL; 10549-09-4; (2S)-2-amino-3-phenyl-propanoic acid; 5297-02-9; P5482_SIGMA; LS-1515; (S)-(-)-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid; HSDB 1825; NCIStruc2_000248; beta-Phenyl-L-alanine; ST5406159; D00021; 78019_FLUKA; Phenylalanine, L-; NCGC00095047-04 |
C35H36N4O5 |
592.7 g/mol |
CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=C4O)C(=O)OC)C)C |
|
TCMBANKIN009086 |
(7S,8S,9S,10R,13S,14S,17R)-17-ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione |
(7S,8S,9S,10R,13S,14S,17R)-17-ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-quinone |
|
330.51 |
|
|
TCMBANKIN009095 |
O-acetyl-β-boswellic acid |
|
|
498.82 |
|
|
TCMBANKIN009098 |
luteolin-4'-O-β-D-glucoside |
|
C21H20O11 |
448.38 |
|
|
TCMBANKIN009104 |
(1S,4aR,8aR)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
(1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN009124 |
Tylophorinidine |
32523-69-6; tylophorinidine; 36614-30-9; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline-6,14-diol, 9,11,12,13,13a,14-hexahydro-3,7-dimethoxy-, (13aS-trans)- |
C22H23NO4 |
365.42 |
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)O)OC |
|
TCMBANKIN009126 |
D-Prolin |
AI3-26710; NCGC00163339-02; FEMA No. 3319; InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8; C00763; Proline [USAN:INN]; L-Pyrrolidine-2-carboxylic acid; (R)-pyrrolidine-2-carboxylic acid; NCI97923; NCIStruc2_000132; NCGC00163339-01; (S)-2-Pyrrolidinecarboxylic acid; Prolinum [Latin]; EINECS 205-702-2; HSDB 1210; (-)-2-Pyrrolidinecarboxylic acid; 858919_ALDRICH; (2R)-2-pyrrolidinecarboxylic acid; (2R)-pyrrolidine-2-carboxylic acid; PRO (IUPAC abbreviation); 81705_FLUKA; CB 1707; (2R)-proline; Proline (VAN); 7005-20-1; SBB006712; PROLINE (L); L-alpha-Pyrrolidinecarboxylic acid; CHEBI:16313; EINECS 206-452-7; Prolina [Spanish]; (L)-PROLINE; FEMA Number 3319; NSC 46703; NCIStruc1_001918 |
C5H9NO2 |
115.13 |
CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C |
|
TCMBANKIN009159 |
farrerol |
Farrerol; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-chromanone; AC-20237; AKOS015965186; 24211-30-1; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-chroman-4-one; C09734 |
C17H16O5 |
300.3 g/mol |
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O |
|
TCMBANKIN009189 |
(S)-Scoulerine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
TCMBANKIN009231 |
(3R,6S)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene |
(3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene; (3R,6S)-3-hydroperoxy-6-isopropenyl-3-methyl-cyclohexene |
|
168.26 |
|
|
TCMBANKIN009244 |
13657-68-6 |
Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))-; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione; 6-Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))- (9CI); Germacr-1(10)-ene-5,8-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
|
TCMBANKIN009262 |
ZINC01666986 |
340308_ALDRICH; (2R)-hexan-2-ol; (R)-(−)-2-Hexanol |
C6H14O |
102.17 |
CCCCC(C)O |
|
TCMBANKIN009297 |
2-methyl-butanol-1-ol |
|
|
104.17 |
|
|
TCMBANKIN009345 |
chrysin-7-O-glucuronide |
|
C21H18O10 |
430.36 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
|
TCMBANKIN009411 |
Yinyanghuo C |
2-(2,2-dimethyl-6-chromenyl)-5,7-dihydroxy-4-chromenone; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-chromone; yinyanghuo c; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-chromen-4-one |
C20H16O5 |
336.3 g/mol |
CC1(C=CC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C |
|
TCMBANKIN009420 |
Ethyl glucoside |
(2R,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; Glucoside, ethyl, D-; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol; 30285-48-4; beta-D-Glucopyranoside, ethyl; 3198-49-0; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; Ethyl D-glucoside; EINECS 250-112-0 |
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN009431 |
dihydrolinalool |
|
C10H20O |
156.27 |
CCC(C)(CCC=C(C)C)O |
|
TCMBANKIN009434 |
Ethyl vanillate |
m-Anisic acid, 4-hydroxy-, ethyl ester; Ethyl 4-hydroxy-3-methoxybenzoate; 3-10-00-01413 (Beilstein Handbook Reference); BRN 2100025; Vanillic acid, ethyl ester; AIDS-166466; 4-Hydroxy-3-methoxybenzoic acid ethyl ester; Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester; NSC 8513; SBB005892; EINECS 210-503-9; ethyl 4-hydroxy-3-methoxy-benzoate; ZINC00394800; 617-05-0; 3-Methoxy-4-hydroxybenzoic acid, ethyl ester; AI3-06151; WLN: 2OVR DQ CO1; NSC8513; 4-hydroxy-3-methoxy-benzoic acid ethyl ester; AIDS166466 |
C10H12O4 |
196.2 |
CCOC(=O)C1=CC(=C(C=C1)O)OC |
|
TCMBANKIN009488 |
pinocarvone |
|
C10H14O |
150.22 |
CC1(C2CC1C(=C)C(=O)C2)C |
|
TCMBANKIN009519 |
1-[(2S)-2-piperidyl]acetone |
1-[(2S)-2-piperidinyl]propan-2-one; 1-[(2S)-piperidin-2-yl]propan-2-one; 1-[(2S)-2-piperidyl]propan-2-one |
|
141.24 |
|
|
TCMBANKIN009544 |
Allyl cinnamate |
Cinnamic acid, allyl ester; allyl cinnamate; (E)-3-phenylprop-2-enoic acid allyl ester; ST5410140; InChI=1/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8; NSC 20972; prop-2-enyl (E)-3-phenylprop-2-enoate; AI3-02313; Vinyl carbinyl cinnamate; Allylester kyseliny skoricove [Czech]; Allyl beta-phenylacrylate; 2-Propenoic acid, 3-phenyl-, 2-propenyl ester; allyl 3-phenylprop-2-enoate; allyl (E)-3-phenylprop-2-enoate; Allyl 3-phenylacrylate; 3-phenylprop-2-enoic acid allyl ester; (E)-3-phenylacrylic acid allyl ester; W202207_ALDRICH; 2-Propen-1-yl 3-phenyl-2-propenoate; 2-Propenyl 3-phenyl-2-propenoate; EINECS 217-477-8; Allyl 3-phenyl-2-propenoate; NSC20972; FEMA No. 2022; prop-2-enyl 3-phenylprop-2-enoate; 3-phenylacrylic acid allyl ester; WLN: 1U2OV1U1R; Propenyl cinnamate; 1866-31-5; ZINC01577285 |
C12H12O2 |
188.22 |
C=CCOC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN009592 |
Salvigenin |
BG01616899; DTXSID90172629; 19103-54-9; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 5-Hydroxy-6,7,4'-trimethoxyflavone; BDBM50092613; LMPK12111166; 4CN-1814; flavone, 5-hydroxy-4',6,7-trimethoxy-; AKOS032948589; ZINC2561268; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 7-O-methylpectolinarigenin; 4H-1-Benzopyran-4-one,5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; SCHEMBL1427018; psathyrotin; QCDYOIZVELGOLZ-UHFFFAOYSA-N; J-012342; AC1L4P44; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; salvigenin; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromone; 5-hydroxy-4',6,7-trimethoxyflavone; AC1Q6AII; 4H-1-Bbenzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; MolPort-035-705-973; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; CTK4E0570; CHEMBL376644; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; W1622 |
C18H16O6 |
328.32 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
|
TCMBANKIN009598 |
Yinyanghuo E |
yinyanghuo e; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one |
C20H16O6 |
352.3 g/mol |
CC1(C=CC2=C(O1)C(=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
|
TCMBANKIN009627 |
α-pinenepinene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN009629 |
tangshenoside I_qt |
|
C29H42O18 |
678.63 |
|
|
TCMBANKIN009630 |
formononetin-7-O-beta-D-glucoside |
|
C22H22O9 |
430.4 |
|
|
TCMBANKIN009672 |
Amurensin_qt |
|
C26H30O12 |
534.51 |
|
|
TCMBANKIN009693 |
Phaseolinisoflavan |
40323-57-7; 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol; phaseolinisoflavan; (-)-Phaseollinisoflavan; (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-; C10515; 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethylchromen-5-ol; 6-[(3R)-7-hydroxy-3-chromanyl]-2,2-dimethyl-5-chromenol |
C20H20O4 |
324.37 |
CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C |
|
TCMBANKIN009704 |
secologanin_qt |
Loniceroside_qt |
C10H11NS |
177.27 |
|
|
TCMBANKIN009714 |
ZINC02041097 |
(3R)-butane-1,3-diol; (R)-(−)-1,3-Butanediol; InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H; 237612_ALDRICH |
C4H10O2 |
90.12 |
CC(CCO)O |
|
TCMBANKIN009716 |
ZINC01592387 |
(3R)-2-methylpent-1-en-3-ol |
C56H93N19O25 |
1432.45 |
|
|
TCMBANKIN009775 |
Betavulgarin |
7-(2-hydroxyphenyl)-9-methoxy-8-pyrano[2,3-f][1,3]benzodioxolone; 7-(2-hydroxyphenyl)-9-methoxy-pyrano[2,3-f][1,3]benzodioxol-8-one; 7-(2-hydroxyphenyl)-9-methoxypyrano[2,3-f][1,3]benzodioxol-8-one; 51068-94-1; C10201 |
C17H12O6 |
312.27 |
COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O |
|
TCMBANKIN009805 |
kosamol,q |
|
|
454.61 |
|
|
TCMBANKIN009821 |
Methyl propylate |
81988_FLUKA; ZINC01699947; EINECS 209-060-4; Propionate de methyle; propanoic acid methyl ester; InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H; 554-12-1; Methylester kyseliny propionove [Czech]; AI3-10621; Propanoic acid, methyl ester; propionic acid methyl ester; 4-02-00-00704 (Beilstein Handbook Reference); FEMA No. 2742; Propionate de methyle [French]; W274208_ALDRICH; NSC 9375; UN1248; 109258_ALDRICH; Propionic acid, methyl ester; BRN 1737628; Methyl Propionate (natural); Methyl propionate; HSDB 5688; Methyl propionate [UN1248] [Flammable liquid]; NSC9375; WLN: 2VO1; Methyl propanoate; FEMA Number 2742 |
C4H8O2 |
88.11 |
CCC(=O)OC |
|
TCMBANKIN009856 |
.beta.-Fenchyl acetate, exo- |
[(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009881 |
4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol |
4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol; 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-2,6-dimethoxyphenol; 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-oxolan-2-yl]-2,6-dimethoxy-phenol |
|
374.47 |
|
|
TCMBANKIN009903 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid_qt |
|
|
212.32 |
|
|
TCMBANKIN009906 |
cis-4-Hydroxy-L-proline |
56248_FLUKA; (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid; (2S,4S)-(−)-4-Hydroxy-2-pyrrolidinecarboxylic acid; C03441; (2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4S)-4-hydroxyproline; 618-27-9; H1637_SIGMA |
C5H9NO3 |
131.13 |
C1C(CNC1C(=O)O)O |
|
TCMBANKIN009920 |
(E,E)-3,5-Di-O-caffeoylquinic acid |
|
C25H24O12 |
516.45 |
|
|
TCMBANKIN009923 |
Mulberrofuran A |
2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxy-phenyl]-1-benzofuran-6-ol; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxyphenyl]-6-benzofuranol; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxyphenyl]-6-benzofuranol; 68978-04-1; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxy-phenyl]benzofuran-6-ol; SCHEMBL4742441; CHEBI:7017; mulberrofuran a; DTXSID50415105; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol; 2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-3-methoxyphenyl}-1-benzofuran-6-ol; C08846; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxy-phenyl]-1-benzofuran-6-ol; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxy-phenyl]benzofuran-6-ol; AC1NQYD7 |
C25H28O4 |
392.49 |
CC(=CCCC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C)C |
|
TCMBANKIN009958 |
(1R)-4-isopropenyl-1-methyl-1-cyclohex-3-enol |
3,8(9)-p-Menthadien-1-ol; (1R)-4-isopropenyl-1-methyl-cyclohex-3-en-1-ol; (1R)-1-methyl-4-prop-1-en-2-yl-cyclohex-3-en-1-ol; (1R)-1-methyl-4-prop-1-en-2-ylcyclohex-3-en-1-ol |
|
152.26 |
|
|
TCMBANKIN009966 |
Isooctane |
34862_SIAL; ISO-OCTANE; c1078; 34499_RIEDEL; 32291_RIEDEL; BRN 1696876; Pentane, 2,2,4-trimethyl-; NSC39117; 59045_FLUKA; 2,2,4-Trimethylpentane; InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H; WLN: 1Y1&1X1&1&1; EINECS 208-759-1; 4-01-00-00439 (Beilstein Handbook Reference); 59030_FLUKA; 258776_ALDRICH; Isobutyltrimethylmethane; 31921-36-5; 360597_SIAL; 2,4,4-Trimethylpentane; 650439_ALDRICH; 59041_FLUKA; 360066_ALDRICH; HSDB 5682; 540-84-1; 155012_SIAL; AI3-23976; NSC 39117 |
C8H18 |
114.23 |
CC(C)CC(C)(C)C |
|
TCMBANKIN009979 |
Dimethyldiethoxysilane |
BRN 1736110; Diethoxy(dimethyl)silane; NSC 77085; diethoxy-dimethyl-silane; diethoxy-dimethylsilane; 175595_ALDRICH; Dimethyl-diethoxysilan [Czech]; 202756-41-0; Diethoxydimethylsilane; 40120_FLUKA; 78-62-6; Dimethyldiethoxysilane [UN2380] [Flammable liquid]; InChI=1/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H; Dimethyl-diethoxysilan; CCRIS 1321; EINECS 201-127-6; NSC77085; Silane, diethoxydimethyl-; KBE 22; Dimethylsilicondiethoxide; UN2380; SILANE,DIETHOXY,DIMETHYL; WLN: 2O-SI-1&1&O2; 4-04-00-04101 (Beilstein Handbook Reference) |
C6H16O2Si |
148.28 |
CCO[Si](C)(C)OCC |
|
TCMBANKIN009990 |
Hemerocallone |
7-(2,5-dimethoxyphenyl)-9-methoxypyrano[2,3-f][1,3]benzodioxol-8-one; 7-(2,5-dimethoxyphenyl)-9-methoxy-8-pyrano[2,3-f][1,3]benzodioxolone; 7-(2,5-dimethoxyphenyl)-9-methoxy-pyrano[2,3-f][1,3]benzodioxol-8-one; hemerocallone |
C19H16O7 |
356.3 g/mol |
COC1=CC(=C(C=C1)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
|
TCMBANKIN009992 |
7-O-methylisomucronulatol |
7-o-methylisomucronulatol; 7-o-methyl isomucronulatol |
C18H20O5 |
316.3 g/mol |
COC1=CC2=C(CC(CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1 |
|
TCMBANKIN010043 |
Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl- |
|
C12H18 |
162.27 g/mol |
CC1=CC2CCC1(C(=C2C)C)C |
|
TCMBANKIN010070 |
(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxychroman-4-one |
(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chroman-4-one; 68401-05-8; 4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-; (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-4-chromanone |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
|
TCMBANKIN010082 |
Methyl decenoate |
dodec-11-enoic acid methyl ester; 11-Dodecenoic acid, methyl ester; methyl dodec-11-enoate |
C13H24O2 |
212.33 |
COC(=O)CCCCCCCCCC=C |
|
TCMBANKIN010083 |
DIMETHYLQUINOLINE |
13362-80-6; 4,8-Dimethylquinoline; 28351-04-4; Quinoline, dimethyl-; Quinoline, 4,8-dimethyl- |
C11H11N |
157.21 g/mol |
CC1=C2C(=CC=C1)C(=CC=N2)C |
|
TCMBANKIN010129 |
1-PHENYL-ETHANOL |
(R)-alpha-methylbenzenemethanol; P4277_SIGMA; 07366_FLUKA; SS2; (1R)-1-PHENYLETHANOL; (R)-()-1-Phenylethanol; 77848_FLUKA; ST5411712; (R)-1-phenylethanol; ()-Methyl phenyl carbinol; ZINC00896626; (R)-()-alpha-Methylbenzyl alcohol; InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H; CHEBI:45616 |
C8H10O |
122.16 |
CC(C1=CC=CC=C1)O |
|
TCMBANKIN010174 |
(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychroman-4-one |
(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-chroman-4-one; 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(3,7-dimethyl-2,6-octadienyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-; InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s; 2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; (2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-chromanone |
C25H28O6 |
424.5 g/mol |
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C)C |
|
TCMBANKIN010187 |
loganic acid_qt |
|
C16H24O10 |
376.36 |
|
|
TCMBANKIN010198 |
Licoricone |
LMPK12050069; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromone; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; 51847-92-8; AKOS032949107; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl)-; CHEBI:69094; 2',7-Dihydroxy-4',6'-dimethoxy-3'-prenylisoflavone; AIDS095918; CTK1H2337; AIDS-095918; T8X3270QWW; UNII-T8X3270QWW; AC1NSXJZ; licoricone; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; ZINC14762987; C17765; 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-but-2-enyl)-phenyl]-1-benzopyran-4-one |
C22H22O6 |
382.41 |
CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C |
|
TCMBANKIN010208 |
(1S,2S)-1,2-bis(2-furyl)ethane-1,2-diol |
(1S,2S)-1,2-di(furan-2-yl)ethane-1,2-diol |
C5H6O2 |
98.1 |
|
|
TCMBANKIN010251 |
Dimetilsolfato |
Dimethylsulfaat; Sulfate de methyle; RCRA waste no. U103; 62086-97-9; InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H; Dwumetylowy siarczan; NSC56194; Sulfate de dimethyle [French]; Dimethylsulfat; Sulfato de dimetilo [Spanish]; Dimethyl monosulfate; WLN: 1OSWO1; RCRA waste number U103; Methyle (sulfate de) [French]; Sulfate dimethylique [French]; Methyl sulfate (VAN); CCRIS 265; BRN 0635994; 41610_FLUKA; sulfuric acid dimethyl ester; D186309_ALDRICH; ST5214345; AI3-52118; Dimethylsulfaat [Dutch]; Dwumetylowy siarczan [Polish]; Dimetilsolfato [Italian]; Methyl sulfate, Me2SO4; Sulfate dimethylique; 320293_ALDRICH; Dimethylsulfat [Czech]; Dimethylester kyseliny sirove [Czech]; Methyle (sulfate de); 139443-72-4; HSDB 932; Sulfuric acid, dimethyl ester; Dimethyl sulfate [UN1595] [Poison]; Dimethylester kyseliny sirove; 4-01-00-01251 (Beilstein Handbook Reference); DMS (Methyl sulfate); 77-78-1; UN1595; Dimethyl sulphate; 98478-67-2; Dimethyl sulfate; NSC 56194; EINECS 201-058-1 |
C2H6O4S |
126.13 |
COS(=O)(=O)OC |
|
TCMBANKIN010280 |
[(2R,4R)-4-acetyloxypentan-2-yl] acetate |
[(2R,4R)-4-acetyloxypentan-2-yl] ethanoate; acetic acid [(1R,3R)-3-acetoxy-1-methylbutyl] ester; acetic acid [(1R,3R)-3-acetoxy-1-methyl-butyl] ester; [(1R,3R)-3-acetoxy-1-methyl-butyl] acetate |
C9H16O4 |
188.22 |
|
|
TCMBANKIN010282 |
MEHQ |
1-Hydroxy-4-methoxybenzene; p-Guaiacol; Novo-Dermoquinona; EINECS 205-769-8; WLN: QR DO1; Mequinol [DCF:INN]; p-Methoxyphenol; Leucobasal; 4-Hydroxyphenol, polymer-bound; Hydroquinone monomethyl ether; PHENOL,4-METHOXY; Phenol, 4-methoxy-; Mono methyl ether hydroquinone; 4-Methoxyphenol; Mequinol (USAN); InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H; M18655_ALDRICH; HQMME; Mequinol; CCRIS 5531; Mequinolum [INN-Latin]; Monomethyl ether hydroquinone; Mechinolo [DCIT]; 54050_FLUKA; 650382_ALDRICH; HSDB 4258; 4-Hydroxyanisole; NSC 4960; Mechinolum; p-Hydroxyanisole; Leucodine B; AI3-00841; NCGC00091390-01; PMF (antioxidant); p-Hydroxymethoxybenzene; Usaf an-7; 150-76-5; SB 01123; BMS 181158; ZINC00001684; NSC4960; NCI60_004190; D04926; Hydroquinone methyl ether; Phenol, p-methoxy-; NCIMech_000709 |
C7H8O2 |
124.14 |
COC1=CC=C(C=C1)O |
|
TCMBANKIN010354 |
Cinchonan-9-al, 6'-methoxy-, (9R)- |
EINECS 209-340-6; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinyl-2-quinuclidinyl]methanol; (R)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; 572-59-8 |
C20H24N2O2 |
324.42 |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN010361 |
3-O-caffeoylshikimic acid |
3-o-caffeoylshikimic acid; 3-o-caffeoylshikimicacid |
C16H16O8 |
336.29 g/mol |
C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
|
TCMBANKIN010448 |
shanzhiside methyl ester_qt |
|
|
244.27 |
|
|
TCMBANKIN010477 |
erlangerin D |
|
C25H24O9 |
468.5 g/mol |
CC(=O)OC12C(C3=CC4=COC=C4C=C3CC1(COC2=O)O)C5=CC(=C(C(=C5)OC)OC)OC |
|
TCMBANKIN010512 |
nelumboside_qt |
|
|
478.39 |
|
|
TCMBANKIN010532 |
3-(2-hydroxy-4-methoxy-phenyl)acrylic acid |
3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid |
C10H10O4 |
194.18 |
COC1=CC(=C(C=C1)C=CC(=O)O)O |
|
TCMBANKIN010538 |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one |
31524-62-6; (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromanone |
C20H20O4 |
324.37 |
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN010558 |
thalicsimidine |
|
C22H27NO5 |
385.45 |
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC |
|
TCMBANKIN010561 |
safflor yellow A |
safflor yellow a |
C27H30O15 |
594.52 |
|
|
TCMBANKIN010573 |
incensole,acetate |
|
C22H36O3 |
348.52 |
|
|
TCMBANKIN010603 |
Dihydronitidine |
NITIDINE, DIHYDRO; 13063-06-4; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-; NSC254666; Nitidine, dihydro-; [1,3]Benzodioxolo[5,6-c]phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl- |
C21H19NO4 |
349.38 |
CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
|
TCMBANKIN010642 |
(1S,10S),(4S,5S)-germacrone-1(10),4-diepoxide |
|
|
264.35 |
|
|
TCMBANKIN010652 |
8-epiloganin_qt |
|
|
228.27 |
|
|
TCMBANKIN010683 |
(E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester |
(E)-2-[(1R,6S,7S,8aS)-6-ethyl-2'-oxo-7-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]yl]-3-methoxyprop-2-enoic acid methyl ester; methyl (E)-2-[(1R,6S,7S,8aS)-6-ethyl-2'-oxo-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxo-spiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate |
|
384.52 |
|
|
TCMBANKIN010687 |
[(Z)-hex-1-enyl] acetate |
[(Z)-hex-1-enyl] ethanoate; acetic acid [(Z)-hex-1-enyl] ester |
|
142.22 |
|
|
TCMBANKIN010711 |
Quercetin tetramethyl(3',4',5,7) ether |
SDCCGMLS-0066515.P001; NCI60_000056; Spectrum2_000711; Spectrum5_000145; Spectrum3_001253; KBioSS_001264; SpecPlus_000312; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4-chromenone; BSPBio_002786; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromone; KBio2_006400; AIDS-126235; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy-; NCGC00095598-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy- (9CI); DivK1c_006408; NSC 102049; Spectrum_000784; NSC102049; KBio3_002286; 3-Hydroxy-3',4', 5,7-tetramethoxyflavone; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy- (8CI); KBio1_001352; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one; KBio2_003832; SPECTRUM300538; KBio2_001264; KBioGR_002045; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one; SPBio_000921; 3-Hydroxy-3',4',5,7-tetramethoxyflavone; Spectrum4_001473; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; AIDS126235; 1244-78-6 |
C19H18O7 |
358.34 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC |
|
TCMBANKIN010760 |
Ensaculin |
7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-coumarin; 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one; Ensaculin [INN]; 7-Methoxy-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarin.; 7-methoxy-6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]-3,4-dimethyl-2-chromenone; 155773-59-4; 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one |
C26H32N2O5 |
452.54 |
CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C |
|
TCMBANKIN010781 |
gomphreninI |
gomphrenin i; gomphreninII; Gomphrenin I |
C24H26N2O13 |
550.47 |
C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O |
|
TCMBANKIN010789 |
3-phenylpropyl 3-phenylprop-2-enoate |
(E)-3-phenylprop-2-enoic acid 3-phenylpropyl ester; 3-phenylprop-2-enoic acid 3-phenylpropyl ester; ZINC01851016; (E)-3-phenylacrylic acid 3-phenylpropyl ester; 3-phenylacrylic acid 3-phenylpropyl ester; 3-phenylpropyl (E)-3-phenylprop-2-enoate |
C18H18O2 |
266.33 |
C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC=CC=C2 |
|
TCMBANKIN010794 |
Hexahydroxytaxadiene |
hexahydroxytaxadiene |
|
368.52 |
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)O)O)C)O)O |
|
TCMBANKIN010796 |
4,7-Dimethylindan |
4,7-dimethylindane; 6682-71-9; NSC81389; Indan, 4,7-dimethyl-; 4,7-dimethyl-2,3-dihydro-1H-indene; 1H-Indene, 2,3-dihydro-4,7-dimethyl-; 4,7-Dimethyl-[2,3-dihydroindene]; 2,3-Dihydro-4,7-dimethyl-1H-indene; InChI=1/C11H14/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H |
C11H14 |
146.23 |
CC1=C2CCCC2=C(C=C1)C |
|
TCMBANKIN010844 |
Icaride A |
icaride a |
|
404.5 |
|
|
TCMBANKIN010845 |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4,5,6-trihydroxy-2-tetrahydropyrancarboxylic acid |
|
381.38 |
|
|
TCMBANKIN010852 |
Tuberosine B |
tuberosine b |
|
193.22 |
C1CNC2=CC=CC=C2C1(C(=O)O)O |
|
TCMBANKIN010867 |
Methyl heptoate |
METHYL HEPTANOATE; W270504_ALDRICH; Heptanoic acid, methyl ester; 75218_FLUKA; BRN 1747147; enanthic acid methyl ester; heptanoic acid methyl ester; Methyl heptylate (natural); AI3-33581; 75220_FLUKA; Methyl n-heptylate; 106-73-0; FEMA No. 2705; W270512_ALDRICH; Methyl oenanthylate; EINECS 203-428-8; 149004_ALDRICH; 46227_RIEDEL; ZINC02041110; Methyl heptylate; Methyl enanthate |
C8H16O2 |
144.21 |
CCCCCCC(=O)OC |
|
TCMBANKIN010876 |
uttroside a_qt |
8-O-acetyl shanzhiside methyl ester_qt |
C19H28O12 |
448.42 |
|
|
TCMBANKIN010878 |
leachianone,g |
|
|
356.4 |
|
|
TCMBANKIN010903 |
(S)-Matsutake alcohol |
ZINC02026960; (S)-1-Octen-3-ol; (S)-oct-1-en-3-ol; (3S)-oct-1-en-3-ol; CHEBI:46735; 3OL; 40577_FLUKA |
C8H16O |
128.21 |
CCCCCC(C=C)O |
|
TCMBANKIN010933 |
cis-3-Hexenyl hexoate |
31501-11-8; cis-Hexanoic acid, 3-hexenyl ester; (Z)-Hex-3-enyl hexanoate; cis-3-Hexenyl caproate; 3-Hexenyl hexanoate, (Z)-; AI3-35959; Hexanoic acid, (3Z)-3-hexenyl ester; cis-3-Hexenyl caproate (hexanoate) (natural); cis-.beta.-Hexenyl Caproate; [(Z)-hex-3-enyl] hexanoate; hexanoic acid [(Z)-hex-3-enyl] ester; Hexanoic acid, 3-hexenyl ester, (Z)-; W340308_ALDRICH; FEMA No. 3403; 82780-67-4; EINECS 250-661-6; cis-3-Hexenyl hexanoate; BRN 2326469; 3-Hexenyl hexanoate, cis-; cis-3-Hexenyl caproate (hexanoate) |
C12H22O2 |
198.3 |
CCCCCC(=O)OCCC=CCC |
|
TCMBANKIN010961 |
Laricitrin |
laricitrin; 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4-chromenone; 2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromone; 2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; 53472-37-0; C12633; 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-one; 3'-O-Methylmyricetin |
C16H12O8 |
332.26 |
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN010973 |
chrysanthediol A |
|
|
236.39 |
|
|
TCMBANKIN010977 |
(1S,2R)-1-ethyl-2-methylcyclopropane |
(1S,2R)-1-ethyl-2-methyl-cyclopropane; rel-(1R,2S)-1-ethyl-2-methylcyclopropane; InChI=1/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s; cyclopropane, 1-ethyl-2-methyl-, (1S,2R)- |
C6H12 |
84.16 |
CCC1CC1C |
|
TCMBANKIN011010 |
1-methyl-5-isopropenyl cyclohexene |
1-methyl-5-(1-methylethenyl)-cyclohexene |
C10H16 |
136.23 |
CC1=CCCC(C1)C(=C)C |
|
TCMBANKIN011025 |
(2S)-2-methyloxolan-3-one |
ZINC03880802; (2S)-2-methyltetrahydrofuran-3-one; (2S)-2-methyl-3-tetrahydrofuranone |
C5H8O2 |
100.12 |
CC1C(=O)CCO1 |
|
TCMBANKIN011082 |
cis-1,3-Dimethylcyclohexane |
638-04-0; (1R,3S)-1,3-dimethylcyclohexane; cyclohexane, 1,3-dimethyl-, (1R,3S)-; NSC74159; 1,cis-3-Dimethylcyclohexane; InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8; 118362_ALDRICH; Cyclohexane, 1,3-dimethyl-, cis- |
C8H16 |
112.21 |
CC1CCCC(C1)C |
|
TCMBANKIN011109 |
nootkatene |
|
C15H22 |
202.34 |
CC1CC=CC2=CCC(CC12C)C(=C)C |
|
TCMBANKIN011163 |
corchioside A |
corchioside a |
C18H26O11 |
418.4 g/mol |
CC1=CC(=CC(=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)O |
|
TCMBANKIN011180 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one |
C20H18O6 |
354.35 |
|
|
TCMBANKIN011196 |
cis-2-Decalone |
cis-.beta.-Decalone; (4aS,8aR)-decalin-2-one; 1579-21-1; (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one; (4aS,8aR)-2-decalinone; (-)-cis-2-Decalone; ZINC01565312; NSC59022; Octahydro-2(1H)-naphthalenone |
C10H16O |
152.23 |
C1CCC2CC(=O)CCC2C1 |
|
TCMBANKIN011220 |
Hexandraside E |
|
C32H38O16 |
678.6 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C |
|
TCMBANKIN011229 |
(E)-1-isopropyldisulfanylprop-1-ene |
(E)-1-propan-2-yldisulfanylprop-1-ene |
|
148.32 |
|
|
TCMBANKIN011255 |
(2R,3R,3aS)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one |
(2R,3R,3aS)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one |
C20H20O5 |
340.37 |
|
|
TCMBANKIN011279 |
p-Methylcinnamic acid |
3-(4-methylphenyl)acrylic acid; 3-(4-METHYLPHENYL)-2-PROPENOIC ACID; ARONIS003023; (E)-3-(4-methylphenyl)prop-2-enoic acid; M35800_ALDRICH; Enamine_005062; NCIOpen2_001890; 1866-39-3; 4-Methylcinnamic acid, predominantly trans; 4-Methylcinnamic acid; NSC66272; (E)-3-(4-methylphenyl)acrylic acid; M105; NSC98545; NSC 66272; NSC98546; 3-(4-methylphenyl)prop-2-enoic acid; EINECS 217-479-9; SBB015822; trans-p-Methylcinnamic acid; IDI1_007649 |
C10H10O2 |
162.19 |
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)O |
|
TCMBANKIN011293 |
Butyl isovalerate |
n-Butyl isopentanoate; EINECS 203-654-7; HSDB 6383; Butyl isovalerianate; n-Butyl 3-methylbutanoate; NSC6187; W221813_ALDRICH; 42580_FLUKA; 59858_FLUKA; 1-Butyl isovalerate; 3-methylbutanoic acid butyl ester; Butanoic acid, 3-methyl-, butyl ester; FEMA No. 2218; AI3-33584; 3-02-00-00698 (Beilstein Handbook Reference); Isovaleric acid, butyl ester; n-Butyl isovalerate; W221805_ALDRICH; WLN: 4OV1Y1 & 1; NSC 6187; 109-19-3; Butyl isopentanoate; Butyl 3-methylbutanoate; 3-methylbutyric acid butyl ester; BRN 1752803; Butyl isovalerate (natural); Butyl 3-methylbutyrate |
C9H18O2 |
158.24 |
CCCCOC(=O)CC(C)C |
|
TCMBANKIN011319 |
germacrene |
germacrene d; Germacrene-D |
C15H24 |
204.35 |
CC1=CCCC(=CCC(CC1)C(=C)C)C |
|
TCMBANKIN011325 |
gdmonolide |
|
|
314.36 |
|
|
TCMBANKIN011332 |
8-methyltocol |
CHEBI:47772; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-; (2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol; T2028_SIGMA; 119-13-1; NCGC00160622-01; 78656-14-1; 16698-36-5; (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol; 47784_SUPELCO; C14151; ()-delta-Tocopherol; (2R(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol; EINECS 204-299-0; (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol; delta-Tocopherol; ZINC04215541; 37816-35-6; NCGC00160622-02 |
C27H46O2 |
402.65 |
CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
|
TCMBANKIN011364 |
(3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone |
(3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone |
|
484.62 |
|
|
TCMBANKIN011366 |
ZINC02166569 |
(3R,5S)-3,5-dimethyloctan-4-one |
C10H20O |
156.27 |
|
|
TCMBANKIN011394 |
Cycloundecene(E) |
(E)-Cycloundecene; 13151-60-5; (10E)-cycloundecene |
C11H20 |
152.28 |
C1CCCCC=CCCCC1 |
|
TCMBANKIN011487 |
(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone |
(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one |
C21H26O5 |
358.43 |
|
|
TCMBANKIN011498 |
Bianfugecine |
7H-Dibenzo(de,h)quinolin-7-one, 5,9-dimethoxy-; bianfugecine; 96681-50-4; 5,9-Dimethoxy-7H-dibenzo(de,h)quinoline-7-one |
C18H13NO3 |
291.3 |
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=CC(=C43)C2=O)OC |
|
TCMBANKIN011519 |
(1S,2S)-1,2-dimethylcyclopentane |
cyclopentane, 1,2-dimethyl-, (1S,2S)-; InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s |
C7H14 |
98.19 |
CC1CCCC1C |
|
TCMBANKIN011548 |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (6S)-1,6-dimethyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
|
310.37 |
|
|
TCMBANKIN011602 |
NPG |
AIDS-017551; Neopentanediol; 1,3-Propanediol, 2,2-dimethyl-; Neopentylglycol; AIDS017551; WLN: Q1X1 & 1 & 1Q; Neopentylene glycol; AI3-05739; CBDivE_004836; 126-30-7; 4-01-00-02551 (Beilstein Handbook Reference); 2,2-Dimethylpropane-1,3-diol; ZINC00388175; Propanediol, 2,2-dimethyl-, 1,3-; 111109-35-4; NSC 55836; NSC55836; 2,2-Dimethyltrimethylene glycol; EINECS 204-781-0; 2,3-Dimethyl-1,3-propanediol; Dimethylolpropane; 41510_FLUKA; 2,2-Dimethyl-1,3 propanediol; Hydroxypivalyl alcohol; Neol; 2,2-DIMETHYL-1,3-PROPANEDIOL; NSC6366; InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H; 538256_ALDRICH; BRN 0605291; Neopentyl glycol; NPG Glycol; Dimethyltrimethylene glycol |
C5H12O2 |
104.15 |
CC(C)(CO)CO |
|
TCMBANKIN011603 |
3,2',4',6'-Tetrahydroxy-4,3'-dimethoxy chalcone |
(E)-3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-one; AC1NT0WJ; 3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-3-methoxy-phenyl)prop-2-en-1-one; (E)-3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)prop-2-en-1-one; 3,2',4',6'-tetrahydroxy-4,3'-dimethoxy chalcone; 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)prop-2-en-1-one |
C17H16O7 |
332.3 g/mol |
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)O)OC)O)O |
|
TCMBANKIN011613 |
(2R)-2-tridecyloxirane |
477184_ALDRICH; (R)-()-1,2-Epoxypentadecane |
C15H30O |
226.4 |
CCCCCCCCCCCCCC1CO1 |
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN011634 |
D-Serin |
EINECS 206-229-4; NSC 77689; InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7; NCGC00094363-04; AI3-18476; (2R)-2-amino-3-hydroxypropanoic acid; EU-0101088; 84970_FLUKA; (R)-2-Amino-3-hydroxypropionic acid; BPBio1_001226; NCGC00094363-03; DL-Serine; AIDS071644; S4250_SIGMA; AIDS-071644; C00740; (R)-2-amino-3-hydroxypropanoic acid; SERINE (L); Biomol-NT_000197; Lopac0_001088; CHEBI:16523; Serine D-form |
C3H7NO3 |
105.09 |
C(C(C(=O)O)N)O |
|
TCMBANKIN011656 |
toddaline |
chelerythrine; toddaline |
C21H18NO4+ |
348.4 g/mol |
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN011663 |
1,5,7-trihydroxy-6-methoxy-2-methoxymethylanthracenequinone |
|
|
330.31 |
|
|
TCMBANKIN011665 |
methyl (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate |
methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
C22H26N2O3 |
366.45 |
|
|
TCMBANKIN011697 |
theobromine |
KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649 |
C7H8N4O2 |
180.16 |
CN1C=NC2=C1C(=O)NC(=O)N2C |
|
TCMBANKIN011698 |
(1R,3aR,4R,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol |
(1R,3aR,4R,6aS)-1,4-bis(4-hydroxy-3-methoxy-phenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol |
|
374.42 |
|
|
TCMBANKIN011769 |
1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)- |
4567-33-3; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one |
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN011777 |
7-dehydroavenasterol |
|
C29H48O |
412.69 |
CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN011806 |
Acetovanillin |
ZINC00166877; NSC25863; (4-methanoyl-2-methoxy-phenyl) ethanoate; Benzaldehyde, 4-(acetyloxy)-3-methoxy-; W310808_ALDRICH; 4-(Acetyloxy)-3-methoxybenzaldehyde; ST5213429; acetic acid (4-formyl-2-methoxyphenyl) ester; 4-Formyl-2-methoxyphenol acetate; Vanillin acetate; NSC 8499; O-Acetylvanillin; Acetylvanillin; (4-formyl-2-methoxyphenyl) acetate; Vanillin, acetate; 4736-37-2; 881-68-5; NSC 25863; Vanillin, acetate (8CI); 258601_ALDRICH; (4-formyl-2-methoxy-phenyl) acetate; 4-O-Acetylvanillin; acetic acid (4-formyl-2-methoxy-phenyl) ester; 4-Formyl-2-methoxyphenyl acetate; FEMA No. 3108; NSC8499; EINECS 212-920-1; 4-Acetoxy-3-methoxybenzaldehyde |
C10H10O4 |
194.18 |
CC(=O)OC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN011863 |
Methyl 9-cyclopropylnonanoate |
9-cyclopropylpelargonic acid methyl ester; 9-cyclopropylnonanoic acid methyl ester; Cyclopropanenonanoic acid, methyl ester |
C13H24O2 |
212.33 g/mol |
COC(=O)CCCCCCCCC1CC1 |
|
TCMBANKIN011901 |
2-methyldisulfanylpropane |
Methyl isopropyl disulphide; 40136-65-0; EINECS 254-808-5; Disulfide, methyl 1-methylethyl; Isopropyl methyl disulphide |
C4H10S2 |
122.25 |
CC(C)SSC |
|
TCMBANKIN011921 |
Substance H 36 |
NCGC00095523-01; 2-Propenoic acid, 3-(2-methoxyphenyl)-, (Z)- (9CI); (Z)-3-(2-methoxyphenyl)acrylic acid; 14737-91-8; Spectrum5_000144; CINNAMIC ACID, o-METHOXY-, (Z)-; BRN 2209713; 250554_ALDRICH; SDCCGMLS-0066551.P001; cis-2-Methoxycinnamic acid; (Z)-3-(2-Methoxyphenyl)-2-propenoic acid; (Z)-o-Methoxycinnamic acid; SPECTRUM210568; (Z)-3-(2-methoxyphenyl)prop-2-enoic acid; cis-o-Methoxycinnamic acid; BSPBio_001674; EINECS 238-803-5; Acide ortho-methoxycinnamique [French] |
C10H10O3 |
178.18 |
COC1=CC=CC=C1C=CC(=O)O |
|
TCMBANKIN011931 |
3-methyl-5-ETHYLHEPTANE |
|
|
142.32 |
|
|
TCMBANKIN012015 |
beta-Bazzanene |
|
C15H24 |
204.35 |
CC1=CCC(CC1)(C)C2(CCCC2=C)C |
|
TCMBANKIN012034 |
odoricarpin |
|
C18H18O6 |
330.33 |
|
|
TCMBANKIN012065 |
hemiphroside A_qt |
|
C31H40O16 |
668.64 |
|
|
TCMBANKIN012089 |
CYCLODODECENE |
CYCLODODECENE (TRANS); Cyclododecene,c&t; 1501-82-2; Cyclododecene, mixture of cis and trans; 1129-89-1; (11Z)-cyclododecene; cyclododecene, (1Z)-; InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1; C97601_ALDRICH; ST5406269; EINECS 216-117-7; (1Z)-cyclododecene; Cyclododecene, (Z)-; Cyclododecene; (Z)-Cyclododecene |
C12H22 |
166.3 |
C1CCCCCC=CCCCC1 |
|
TCMBANKIN012090 |
xanthogalenol |
|
C21H22O5 |
354.4 g/mol |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)OC)C |
|
TCMBANKIN012102 |
(3R)-3-(2,3-dihydroxy-4-methoxyphenyl)chroman-7,8-diol |
(3R)-3-(2,3-dihydroxy-4-methoxy-phenyl)chroman-7,8-diol |
C16H16O6 |
304.29 |
|
|
TCMBANKIN012123 |
cis-Piperitol |
cis-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; 16721-38-3; (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; (1R,6S)-6-isopropyl-3-methyl-1-cyclohex-2-enol; EINECS 240-775-4; (1R,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; 75363-64-3; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-; cis-piperitol; (1R,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC1=CC(C(CC1)C(C)C)O |
|
TCMBANKIN012187 |
Acetate C-7 |
4-02-00-00162 (Beilstein Handbook Reference); 112-06-1; Heptanyl acetate; acetic acid heptyl ester; 1-Heptyl acetate; W254703_ALDRICH; Acetic acid, heptyl ester; W254711_ALDRICH; BRN 1752297; Heptyl acetate; AI3-02072; ST5409722; NSC3833; FEMA No. 2547; WLN: 7OV1; n-Heptyl acetate; n-Heptyl ethanoate; n-Heptyl acetate (natural); NSC 3833; 25360-20-7; Heptyl ethanoate; EINECS 203-932-8 |
C9H18O2 |
158.24 |
CCCCCCCOC(=O)C |
|
TCMBANKIN012231 |
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol |
(1R,3R,4S)-3,4-dimethyl-1-cyclohexanol |
C8H16O |
128.21 |
|
|
TCMBANKIN012257 |
(3R)-3-methylcyclotridecan-1-one |
(3R)-3-methyl-1-cyclotridecanone |
C14H26O |
210.36 |
|
|
TCMBANKIN012264 |
(R)-ornithine |
InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9; EINECS 206-482-0; CHEBI:16176; C00515; NSC-118360; (2R)-2,5-diaminopentanoic acid; (2R)-2,5-diaminovaleric acid; NCGC00097310-02; 410523-47-6; NCIStruc1_000044; NCI118360; NCIStruc2_000122; NCGC00014201 |
C5H12N2O2 |
132.16 |
C(CC(C(=O)O)N)CN |
|
TCMBANKIN012271 |
leucosceptoside A_qt |
|
C30H38O15 |
638.61 |
|
|
TCMBANKIN012278 |
1-beta-ethylacrylate-7-aldehyde-beta-carboline |
|
|
294.33 |
|
|
TCMBANKIN012291 |
n-butyl-α-D-fructopyranoside |
n butyl-α-D-fructopyranoside |
|
236.3 |
|
|
TCMBANKIN012312 |
(E)-7-(1,3-benzodioxol-5-yl)-1-piperidino-hept-6-en-1-one |
(E)-7-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)hept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-hept-6-en-1-one |
C19H21NO3 |
311.37 |
|
|
TCMBANKIN012330 |
Sesamolinol |
4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxyphenol; AC1L9DVK; (+)-sesamolinol; 4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxy-phenol; sesamolinol; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol; C10883; 100016-94-2; CHEBI:9127; DTXSID10332041; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxy-phenol |
C20H20O7 |
372.37 |
COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
|
TCMBANKIN012351 |
Schizonepetoside C_qt |
|
|
168.26 |
|
|
TCMBANKIN012367 |
2-(p-hydroxyphenyl)-ethanol-1-o-beta-d-apiofuranosyl,(1-6)-o-beta-d-glucopyranoside_qt |
|
|
390.41 |
|
|
TCMBANKIN012406 |
(-)-Methyl 2-methylbutyrate |
butanoic acid, 2-methyl-, methyl ester, (2R)-; 55449-44-0; (2R)-2-methylbutanoic acid methyl ester; Butanoic acid, 2-methyl-, methyl ester, (2R)- (9CI); (2R)-2-methylbutyric acid methyl ester; ZINC04521669; (-)-Methyl alpha-methylbutyrate; methyl (2R)-2-methylbutanoate; Methyl (R)-2-methylbutanoate; Butanoic acid, 2-methyl-, methyl ester, (R)- |
C6H12O2 |
116.16 |
CCC(C)C(=O)OC |
|
TCMBANKIN012431 |
aloveroside_qt |
|
|
232.25 |
|
|
TCMBANKIN012441 |
8-C-α-L-arabinosylluteolin |
|
|
418.38 |
|
|
TCMBANKIN012472 |
p-Allyltoluene |
1-methyl-4-prop-2-enyl-benzene; 1-Allyl-4-methylbenzene; EINECS 222-063-5; 4-Allyltoluene; Toluene, p-allyl-; 3333-13-9; 4-Isopropenyltoluene; 3-p-Tolylpropene; Benzene, 1-methyl-4-(2-propenyl)-; p-Methylallylbenzene; 1-allyl-4-methyl-benzene; Toluene, p-allyl- (8CI); NSC 73971; NSC73971; 1-methyl-4-prop-2-enylbenzene |
C10H12 |
132.2 |
CC1=CC=C(C=C1)CC=C |
|
TCMBANKIN012498 |
cyanin |
LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin |
C27H31O16+ |
611.5 g/mol |
C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
|
TCMBANKIN012499 |
3-methyl-3,4-divinyl-1-cyclohexene |
|
C11H16 |
148.24 g/mol |
CC1(C=CCCC1C=C)C=C |
|
TCMBANKIN012500 |
methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine |
N-methyl-2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethanamine; N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine |
C21H25NO4 |
355.43 |
CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC |
|
TCMBANKIN012507 |
dihydrokaempferide |
|
C16H14O6 |
302.28 |
COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN012543 |
Fuseloel |
W205710_ALDRICH; Isoamylol; Primary isoamyl alcohol; Isoamyl alcohol (primary and secondary); 59085_FLUKA; 59090_FLUKA; Huile de fusel; I9392_SIGMA; 3-Methyl-1-butanol; EINECS 204-633-5; Fermentation amyl alcohol; ZINC00896830; 277584_ALDRICH; Alcool isoamylique; 1-HYDROXY-3-METHYLBUTANE; 123-51-3; NSC 1029; Iso-amyl alcohol; Isopentanol; 3-Metil-butanolo; isopentan-1-ol; ISOAMYLALCOHOL; 1-Butanol, 3-methyl-; Fusel Oil; 309435_ALDRICH; M32658_SIAL; 3-METHYL-BUTAN-(1)-OL; NSC1029; 6423-06-9; WLN: Q2Y1 & 1; Alcool amilico [Italian]; FEMA No. 2057; Isoamyl alkohol; HSDB 605; Iso-amylalkohol [German]; IP3; Isopentyl alcohol (8CI); Isoamyl alcohol, primary; Isoamyl alkohol [Czech]; C07328; Isobutyl carbinol; Isoamyl alcohol; i-Amyl alcohol; 59092_FLUKA; Amylowy alkohol; Isobutylcarbinol; Isopentyl alcohol; AI3-15288; InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H; FEMA Number 2057; Iso-amylalkohol; W205702_ALDRICH; Amylowy alkohol [Polish]; 3-Methylbutan-1-ol; Alcool isoamylique [French]; NSC7905; 320021_SIAL; Alcool amilico; 2-Methyl-4-butanol; 3-Metil-butanolo [Italian]; CHEBI:15837; Isoamyl alcohol (natural); 3-Methylbutanol |
C5H12O |
88.15 |
CC(C)CC[O-].CC(C)CC[O-].[Mg+2] |
|
TCMBANKIN012586 |
3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl acetate |
acetic acid 3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester; acetic acid 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-5-yl]propyl ester; 3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate; 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl ethanoate |
|
402.48 |
|
|
TCMBANKIN012596 |
1-methyl-3-propylcyclooctane |
|
C12H24 |
168.32 g/mol |
CCCC1CCCCCC(C1)C |
|
TCMBANKIN012611 |
(1R,4R,5S)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene |
(1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene; (1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene; (1R,4R,5S)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene |
|
204.39 |
|
|
TCMBANKIN012627 |
(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
BB_NC-0154; ZINC00968030; (1R,5S)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde |
C10H14O |
150.22 |
|
|
TCMBANKIN012636 |
tetrahydroalstonine |
Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 |
C21H25N2O3+ |
353.4 g/mol |
CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
|
TCMBANKIN012639 |
Cyclohexanone,2-butyl |
|
C10H18O |
154.25 g/mol |
CCCCC1CCCCC1=O |
|
TCMBANKIN012668 |
sn-Gro-1-P |
L-(glycerol 3-phosphate); [(2R)-2,3-dihydroxypropyl] dihydrogen phosphate; D-(glycerol 1-phosphate); sn-Glycerol 3-phosphate; CHEBI:15978; C00093; NCGC00166329-01; (2R)-2,3-dihydroxypropyl dihydrogen phosphate; Glycerophosphoric acid; sn-glycerol 3-(dihydrogen phosphate) |
C3H9O6P |
172.07 g/mol |
C(C(COP(=O)(O)O)O)O |
|
TCMBANKIN012675 |
arjunetin |
|
C36H58O10 |
650.84 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)CO)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C |
|
TCMBANKIN012686 |
o-Anisaldehyde |
ZINC01090557; BRN 0606301; 2-Anisaldehyde; NSC58960; ST5213390; Benzaldehyde, 2-methoxy-; AI3-01375; EINECS 205-171-7; 4-08-00-00180 (Beilstein Handbook Reference); 109622_ALDRICH; Formylanisole, o-; 2-Methoxybenzaldehyde; 64770_FLUKA; 135-02-4; o-Methoxybenzaldehyde; NSC 58960; 2-Methoxyphenylformaldehyde; InChI=1/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H; 6-Methoxybenzaldehyde; 2-Methoxybenzenecarboxaldehyde; Salicylaldehyde methyl ether; Benzaldehyde, o-methoxy- |
C8H8O2 |
136.15 |
COC1=CC=CC=C1C=O |
|
TCMBANKIN012721 |
Diallyl |
Hexadiene (DOT); alpha,omega-Hexadiene; .alpha.,.omega.-Hexadiene; 52440_FLUKA; EINECS 209-754-7; Biallyl; 128554_ALDRICH; 41919-05-5; 592-42-7; NSC 60690; NSC60690; InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H; Hexa-1,5-diene; 1,5-Hexadiene |
C6H10 |
82.14 |
C=CCCC=C |
|
TCMBANKIN012731 |
1-(2-methoxypropan-2-yl)-4-methylbenzene |
1-(1-methoxy-1-methyl-ethyl)-4-methyl-benzene; 1-(2-methoxypropan-2-yl)-4-methyl-benzene; 1-(1-methoxy-1-methylethyl)-4-methylbenzene |
C11H16O |
164.24 |
CC1=CC=C(C=C1)C(C)(C)OC |
|
TCMBANKIN012762 |
3-Methylpentane |
96-14-0; NSC 66497; 68320_FLUKA; NSC66497; InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H; M66005_ALDRICH; 442390_SUPELCO; Pentane, 3-methyl-; 3-methylpentane; AI3-28852; EINECS 202-481-4; HSDB 5300; 68322_FLUKA; Diethylmethylmethane |
C6H14 |
86.18 |
CCC(C)CC |
|
TCMBANKIN012763 |
2,3,5-trimethyl-Hexane |
|
C9H20 |
128.26 |
CC(C)CC(C)C(C)C |
|
TCMBANKIN012768 |
p-Toluyl chloride |
BRN 0471492; 89820_FLUKA; EINECS 212-864-8; 4-Methylbenzoic acid chloride; p-Toluic acid chloride; ZINC02040256; 4-09-00-01733 (Beilstein Handbook Reference); InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H; 4-Toluoyl chloride; p-Methylbenzoyl chloride; 874-60-2; Benzoyl chloride, 4-methyl-; p-TOLUOYL CHLORIDE; 4-Methylbenzoyl chloride; 106631_ALDRICH |
C8H7ClO |
154.59 |
CC1=CC=C(C=C1)C(=O)Cl |
|
TCMBANKIN012805 |
Cruex |
Caswell No. 901; C13910; Kyselina undecylenova [Czech]; Sevinon; Undecylenic acid (JAN/USP); 112-38-9; Undecenoic acid, omega-; 10-Hendecenoic; NCGC00159425-03; WLN: QV9U1; 10-Undecylenic acid; NCI60_001670; D02159; SBB009049; AIDS108286; 10-Hendecenoic acid; NSC2013; EPA Pesticide Chemical Code 085501; NSC 2013; omega-undecenoic acid; Kyselina 9-decen-1-karboxylova [Czech]; Undecylenic acid [JAN]; 10-Henedecenoic acid; EINECS 215-583-9; NCGC00159425-02; Declid; Renselin; W324701_ALDRICH; BRN 1762631; 94192_FLUKA; omega-hendecenoic acid; Desenex solution; CHEBI:35045; EINECS 203-965-8; 1-Undecenoic acid; component of Desenex; Desenex, solution; Undecyl-10-enic acid; Undecenoic acid; AI3-02065; AIDS-108286; FEMA No. 3247; Desenex; 124672_ALDRICH; 10-Undecenoic acid; LMFA01030036; 27817_RIEDEL; Undec-10-enoic acid; 1333-28-4; 9-Undecylenic acid; InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13; Hendecenoic acid, omega-; NCIOpen2_002642; 4-02-00-01612 (Beilstein Handbook Reference); Undecylenic acid; Cruex (TN) |
C11H20O2 |
184.28 |
C=CCCCCCCCCC(=O)O |
|
TCMBANKIN012879 |
(3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone |
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(phenylmethyl)piperazine-2,5-dione |
|
310.38 |
|
|
TCMBANKIN012894 |
TRIPTONOLIDE |
triptonolide; 6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione; AC1NT199 |
C20H22O4 |
326.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2=O)COC4=O)C)O |
|
TCMBANKIN012899 |
(2R)-1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol |
(2R)-1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol; Prestwick3_000665; STOCK1N-02929; BSPBio_000729; (2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol; ZINC00035526; BPBio1_000803 |
C18H21NO6 |
347.4 g/mol |
CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O |
|
TCMBANKIN012935 |
ZINC03107553 |
(8R)-bicyclo[4.2.0]octa-1,3,5-trien-8-ol; (8R)-8-bicyclo[4.2.0]octa-1,3,5-trienol |
C8H8O |
120.15 |
|
|
TCMBANKIN012963 |
Fluoren |
NSC 6787; 2,3-Benzindene; o-Biphenylenemethane; 84987-80-4; ST5214526; 2,2'-Methylenebiphenyl; NSC6787; 9H-Fluorene; EINECS 201-695-5; 40078_SUPELCO; 2299-68-5; ghl.PD_Mitscher_leg0.1322; 48644_SUPELCO; Fluorene; HSDB 2165; 86-73-7; Fluorene solution; Fluorenyl radical; InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H; C07715; 48568_SUPELCO; NCGC00164052-01; AI3-09074; 46880_FLUKA; alpha-diphenylenemethane-9H-fluorene; o-Biphenylmethane; c0388; 128333_ALDRICH; Diphenylenemethane; CCRIS 947; CHEBI:28266; Methane, diphenylene- |
C13H10 |
166.22 g/mol |
C1C2=CC=CC=C2C3=CC=CC=C31 |
|
TCMBANKIN012964 |
COLLIDINE |
AO-801/41077394; NSC76593; Pyridine, trimethyl-; NSC 76593; Pyridine, 2,3,6-trimethyl-; 29611-84-5; Trimethylpyridine; 1462-84-6; ZINC00967173; 2,3,6-Collidine; 2,3,6-Trimethylpyridine; EINECS 215-970-2 |
C8H11N |
121.18 g/mol |
CC1=C(N=C(C=C1)C)C |
|
TCMBANKIN012976 |
d-mandelonitrile |
(2R)-hydroxy(phenyl)acetonitrile; (R)-mandelonitrile; (2R)-2-hydroxy-2-phenylacetonitrile; (2R)-2-hydroxy-2-phenyl-acetonitrile; (2R)-2-hydroxy-2-phenyl-ethanenitrile; 469653_ALDRICH; CHEBI:18450; (R)-(+)-mandelonitrile; (+)-mandelonitrile; (R)-()-alpha-Hydroxybenzeneacetonitrile; (R)-()-Mandelonitrile |
C20H27NO11 |
457.43 |
C1=CC=C(C=C1)C(C#N)O |
|
TCMBANKIN012984 |
1,2,3-Trimethylcyclopentene |
|
C8H14 |
110.2 g/mol |
CC1CCC(=C1C)C |
|
TCMBANKIN012990 |
hydroxyevodiamine |
hydroxy evodiamine; Ambotz526-43-2; 13b-Hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; MolPort-020-005-715; hydroxyevodiamine |
C19H17N3O2 |
319.36 |
|
|
TCMBANKIN012991 |
1-Butyl-4-methoxybenzene |
1-butyl-4-methoxy-benzene; Benzene, 1-butyl-4-methoxy-; 18272-84-9; NSC31625 |
C11H16O |
164.24 |
CCCCC1=CC=C(C=C1)OC |
|
TCMBANKIN013004 |
1-(1-ethoxyethoxy)hexane |
1-(1-ethoxyethoxy)-hexane |
C10H22O2 |
174.28 g/mol |
CCCCCCOC(C)OCC |
|
TCMBANKIN013005 |
(1S,3R,5S)-6,6-dimethyl-2-methylene-3-norpinanol |
SMP2_000270; (1S,3R,5S)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol; (1S,3R,5S)-6,6-dimethyl-2-methylene-norpinan-3-ol; STOCK1N-51374; (1S,3R,5S)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol; ZINC00968034 |
C10H16O |
152.23 |
CC1(C2CC1C(=C)C(C2)O)C |
|
TCMBANKIN013033 |
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone |
ST056246; ZINC00057755; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromenone |
C18H16O6 |
328.32 |
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O |
|
TCMBANKIN013069 |
1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
1-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
C22H20O4 |
348.4 g/mol |
COC1=C2C(=C(C(=C1)O)CC3=CC=C(C=C3)O)CCC4=C2C=CC(=C4)O |
|
TCMBANKIN013111 |
Methyl 9-oxononanoate |
1931-63-1; Nonanoic acid, 9-oxo-, methyl ester; Methyl 8-formyloctanoate; AI3-25458; Methyl azelaaldehydate; NSC53771; Azelaaldehydic acid, methyl ester; 9-ketopelargonic acid methyl ester; Methyl azelaaldehydrate; 9-Oxononanoic acid methyl ester |
C10H18O3 |
186.25 |
COC(=O)CCCCCCCC=O |
|
TCMBANKIN013121 |
1-methoxyindole-3-carbaldehyde |
NSC708490; 1-methoxy-3-indolecarboxaldehyde; NCI60_038422 |
C10H9NO2 |
175.18 g/mol |
CON1C=C(C2=CC=CC=C21)C=O |
|
TCMBANKIN013185 |
1,4-Dimethoxy-2,3-dimethylbenzene |
Benzene, 1,4-dimethoxy-2,3-dimethyl-; ST5446440; 39021-83-5; 1,4-dimethoxy-2,3-dimethyl-benzene |
C10H14O2 |
166.22 |
CC1=C(C=CC(=C1C)OC)OC |
|
TCMBANKIN013255 |
(1R,3R,5R)-6,6-dimethyl-2-methylene-3-norpinanol |
(1R,3R,5R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol; (1R,3R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol; (1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-ol |
C10H16O |
152.23 |
|
|
TCMBANKIN013274 |
Isobutyl tiglate |
(E)-2-methylbut-2-enoic acid isobutyl ester; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2E)-; AI3-33797; Isobutyl angelate; Isobutyl 2-methylcrotonate; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-; 61692-84-0; isobutyl (E)-2-methylbut-2-enoate; isobutyl 2-methylbut-2-enoate; EINECS 262-908-5; 2-methylbut-2-enoic acid isobutyl ester; W500704_ALDRICH; 2-methylpropyl (E)-2-methylbut-2-enoate; 2-methylpropyl 2-methylbut-2-enoate |
C9H16O2 |
156.22 |
CC=C(C)C(=O)OCC(C)C |
|
TCMBANKIN013281 |
Maysin_qt |
|
C27H28O14 |
576.5 |
|
|
TCMBANKIN013300 |
.beta.-Cyclogeraniol |
(2,6,6-trimethyl-1-cyclohexenyl)methanol; 1-Cyclohexene-1-methanol, 2,6,6-trimethyl-; EINECS 207-449-3; 2,6,6-Trimethylcyclohexene-1-methanol; 472-20-8; AI3-37228 |
C10H18O |
154.25 |
CC1=C(C(CCC1)(C)C)CO |
|
TCMBANKIN013310 |
Piperitylhonokiol |
AC1NSZON; 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-prop-2-enylphenol; piperitylhonokiol |
C28H34O2 |
402.6 g/mol |
CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=CC(=C(C=C3)O)CC=C)CC=C |
|
TCMBANKIN013325 |
1,8-dihydroxy-2,3,4,5-tetramethoxyxanthone |
|
|
348.33 |
|
|
TCMBANKIN013327 |
demethylcorydalmatine |
|
|
327.41 |
|
|
TCMBANKIN013328 |
(-)-alpha-N-methylcanadine |
|
|
354.46 |
|
|
TCMBANKIN013348 |
Ajugoside_qt |
ajugoside_qt |
C17H26O10 |
390.38 |
|
|
TCMBANKIN013387 |
guvacine |
BN0243; Lopac-G-007; Lopac0_000571; 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid; EU-0100571; 1,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride; Guvacine; SCHEMBL1057880; NCGC00015457-01; DivK1c_006904; MLS000859975; CCG-38871; KBio2_004474; Tox21_500571; MFCD00055191; BPBio1_000838; FT-0669083; SR-01000075614-1; 498-96-4; Spectrum4_001753; EN000938; Tocris-0234; AK-82183; AKOS025243938; NCGC00261256-01; MCULE-9382105537; LP00571; 1,2,5,6-Terahydropyridine-3-carboxylic acid hydrochloride; NCGC00024508-01; Guvacine hydrochloride, >=97% (NMR), solid; FGNUNVVTHHKDAM-UHFFFAOYSA-N; 1,2,5,6-Tetrahydronicotinic acid hydrochloride; KBio2_001906; TR-020835; NCGC00093955-03; ACM498964; 1,2,5,6-tetrahydropyridine-3-carboxylic acid; 8985AB; Spectrum_001426; Spectrum5_000606; SMR000326834; SPECTRUM1502126; G-007; Spectrum3_001511; SR-01000075614-3; ZX-CM014693; SR-01000075614-6; MolPort-003-665-602; KBioGR_002226; CHEMBL1256362; 1,2,5,6-Tetrahydronicotinic acid; B6229; Guvacine hydrochloride; KBioSS_001906; Guvacine HCl; SPBio_001427; ANW-67778; TRA0072680; KB-123426; Biomol-NT_000253; Y1163; SR-01000075614; NCGC00093955-01; 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, hydrochloride salt; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-; Spectrum2_001474; NCGC00024508-03; Ambcb4141599; SDCCGMLS-0066665.P001; KBio1_001848; 6027-91-4; BSPBio_003181; AX8236874; SpecPlus_000808; C10149; NCGC00093955-02; GUVACINE HYDROCHLORIDE >96% \ GABA UPTAK; KBio3_002681; KBio2_007042; Z-2043; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochloride; AKOS015849631; CTK7I6002 |
C6H9NO2 |
127.14 |
C1CNCC(=C1)C(=O)O |
|
TCMBANKIN013416 |
2,2-Dimethylcyclopentylcyclohexane |
|
C13H24 |
180.33 |
CC1(CCCC1C2CCCCC2)C |
|
TCMBANKIN013424 |
Citromitin |
citromitin |
C21H24O8 |
404.4 g/mol |
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
|
TCMBANKIN013454 |
Licoagrocarpin |
|
C21H22O4 |
338.4 g/mol |
CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=CC(=C4)OC)O)C |
|
TCMBANKIN013493 |
deacetyl asperuloside acid_qt |
Deacetyl asperulosidic acid methyl ester_qt |
|
242.25 |
|
|
TCMBANKIN013527 |
p-Ethylcumene |
1-ethyl-4-isopropyl-benzene; 4218-48-8; 1-ethyl-4-propan-2-ylbenzene; P-ETHYLISOPROPYLBENZENE; 1-ethyl-4-isopropylbenzene; Benzene, 1-ethyl-4-(1-methylethyl)-; Cumene, p-ethyl-; 1-ethyl-4-propan-2-yl-benzene |
C11H16 |
148.24 |
CCC1=CC=C(C=C1)C(C)C |
|
TCMBANKIN013534 |
3-METHYL-2-THIABUTANE |
Sulfide, isopropyl methyl; 2-(methylthio)propane; 1551-21-9; Propane, 2-(methylthio)-; 2-methylsulfanylpropane; Methyl isopropyl sulfide |
C4H10S |
90.19 |
CC(C)SC |
|
TCMBANKIN013540 |
(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN013593 |
jioglutin E |
jioglutin e |
C11H20O5 |
232.27 g/mol |
CC1(CC(C2C1C(OC(C2)OC)OC)O)O |
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN013610 |
methyl 3-hydroxy-4-methoxybenzoate |
3-hydroxy-4-methoxybenzoic acid methyl ester; 3-hydroxy-4-methoxy-benzoic acid methyl ester; DA-0613; methyl 3-hydroxy-4-methoxy-benzoate; 470708_ALDRICH |
C9H10O4 |
182.17 |
COC1=C(C=C(C=C1)C(=O)OC)O |
|
TCMBANKIN013666 |
mono-Methyl suberate |
242446_ALDRICH; 8-keto-8-methoxy-caprylic acid; 8-methoxy-8-oxo-octanoic acid; Suberic acid monomethyl ester; 8-Methoxy-8-oxooctanoic acid |
C9H16O4 |
188.22 |
COC(=O)CCCCCCC(=O)O |
|
TCMBANKIN013711 |
Methyl dehydro-15-hydroxy-abietan-18-oate |
methyl dehydro-15-hydroxy-abietan-18-oate |
|
330.51 |
CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
|
TCMBANKIN013792 |
Sucol B |
345261_ALDRICH; 73640_FLUKA; 70501_FLUKA; 345288_ALDRICH; Polycaprolactone-block-polytetrahydrofuran-block-polycaprolactone; TERATHANE2900 polyether glycol; Poly(1,4-butanediol); 345296_ALDRICH; 1,4-Dihydroxybutane; AI3-07553; ZINC01599375; 1,4-BUTANEDIOL; 110-63-4; Agrisynth B1D; TERATHANE1400 polyether glycol; 1,4-BD; 240559_SIAL; TERATHANE1000 polyether glycol; ST5214425; Poly(tetrahydrofuran); 89918_FLUKA; Butane-1,4-diol; alpha-Hydro-omega-hydroxypoly(oxy-1,4-butanediyl); 28324-25-6; 345334_ALDRICH; BU1; 91606_FLUKA; NCGC00090733-01; CCRIS 5984; Tetramethylene glycol; BRN 1633445; WLN: Q4Q; HSDB 1112; TERATHANE2000 polyether glycol; NSC 406696; 93542_FLUKA; 345326_ALDRICH; Poly THF; 4-01-00-02515 (Beilstein Handbook Reference); 420999_ALDRICH; NSC406696; BUTANEDIOL; 80748_FLUKA; EINECS 203-786-5; 71602_FLUKA; 732189-03-6; 1,4-Butylene glycol; Polytetramethylene ether glycol; 526320_ALDRICH; InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H; DIOL 14B; 493732_SIAL; 93562_FLUKA; TERATHANE650 polyether glycol; Tetramethylene 1,4-diol; 80016_FLUKA; 1,4-Tetramethylene glycol |
C4H10O2 |
90.12 |
C(CCO)CO |
|
TCMBANKIN013931 |
Fallacinol |
NP-012894; 569-05-1; 1,8-dihydroxy-3-methoxy-6-methylol-9,10-anthraquinone; fallacinol; NCGC00384926-01!1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione; 1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione; AC1MJ0ZD; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-; Phallacinol; 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione; SCHEMBL16225969; Chrysazin, 3-(hydroxymethyl)-6-methoxy-; Teloschistin; DTXSID80205430; 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-anthracene-9,10-dione; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy- |
C16H12O6 |
300.26 |
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO |
|
TCMBANKIN013961 |
7,8-Dehydropenstemoside_qt |
|
|
242.25 |
|
|
TCMBANKIN014047 |
1,2,3,4,5-Pentamethylcyclopentadiene |
4045-44-7; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-; 76826_FLUKA; NSC222823; Cyclopentadiene, 1,2,3,4,5-pentamethyl-; 214027_ALDRICH; EINECS 223-743-4 |
C10H16 |
136.23 g/mol |
CC1C(=C(C(=C1C)C)C)C |
|
TCMBANKIN014100 |
o-Anisic acid |
Salicylic acid methyl ether; O-Methoxy benzoic acid; 2-Anisic acid; TimTec1_004173; 64790_FLUKA; BRN 0509929; 2-Methoxybenzoic acid; 4-10-00-00130 (Beilstein Handbook Reference); EINECS 209-447-8; Kyselina 2-methoxybenzoova [Czech]; InChI=1/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10; 169978_ALDRICH; ST5213887; Benzoic acid, 2-methoxy-; O-Methylsalicylic acid; AI3-20226; BENZOIC ACID,2-METHOXY; 579-75-9; NSC3778; NSC 3778; W394300_ALDRICH; AIDS018079; o-Methoxybenzoic acid; AIDS-018079 |
C8H8O3 |
152.15 |
COC1=CC=CC=C1C(=O)O |
|
TCMBANKIN014107 |
Gossypetin-7-methylether |
3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-chromone; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-chromen-4-one; LMPK12113233; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-4-chromenone; gossypetin-7-methylether; 2-(3,4-dihydroxyphenyl)-3,5 ,8-trihydroxy-7-methoxy-4h-1-benzopyran-4-one; Ranupetin; AC1NSW2X |
C16H12O8 |
332.26 g/mol |
COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN014118 |
OBT |
SR-01000640954-1; 2(3H)-Benzothiazolone; BENZTHIAZOLINE,2-ONE; MLS000737673; 2-Hydroxybenzothiazole; 2-Benzothiazolone; ZINC00395576; SBB005792; S-Orthophenylenethiocarbamate; NSC 33823; SMR000112468; 60362-05-2; AIDS019693; Carbamothioic acid, (2-mercatophenyl)-, .gamma.-lactone; 407607_ALDRICH; 2-Benzothiazolinone; c1130; ST5073356; 2-Benzothiazolinone (8CI); EINECS 213-281-1; NSC 7706; NSC26422; AI3-24484; Benzothiazolone; 3H-1,3-benzothiazol-2-one; 4464-59-9; ZINC00066150; MLS000697050; 934-34-9; 2-Benzothiazolol; NSC7706; 92353-21-4; NSC33823; NSC 26422; 1,3-Benzothiazol-2-ol; 1,3-benzothiazol-2(3H)-one; AIDS-019693; InChI=1/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9; Carbamothioic acid, (2-mercatophenyl)-, gamma-lactone |
C7H5NOS |
151.19 |
C1=CC=C2C(=C1)NC(=O)S2 |
|
TCMBANKIN014134 |
2-Phenylpropenal |
2-phenylprop-2-enal; Benzeneacetaldehyde, .alpha.-methylene-; 495-10-3; 2-PHENYLACROLEIN |
C9H7N |
129.16 |
C=C(C#N)C1=CC=CC=C1 |
|
TCMBANKIN014175 |
Piperitenone |
NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8 |
C10H14O |
150.22 |
CC1=CC(=O)C(=C(C)C)CC1 |
|
TCMBANKIN014177 |
threo-austrobailignan-5 |
|
|
326.42 |
|
|
TCMBANKIN014215 |
[(1S,2R,5S,6R)-6-methyl-2-methylol-norpinan-6-yl]methanol |
[(1S,2R,5S,6R)-2-(hydroxymethyl)-6-methyl-6-norpinanyl]methanol; [(1S,2R,5S,7R)-2-(hydroxymethyl)-7-methyl-7-bicyclo[3.1.1]heptanyl]methanol; [(1S,2R,5S,6R)-2-(hydroxymethyl)-6-methyl-norpinan-6-yl]methanol |
|
170.28 |
|
|
TCMBANKIN014228 |
Hypolaetin |
8-Hydroxyluteolin; CHEBI:5837; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one; 27696-41-9; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromone; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4-chromenone; hypolaetin; C10078; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one |
C15H10O7 |
302.24 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[O-])O)O |
|
TCMBANKIN014266 |
schizonepetoside A_qt |
|
|
168.26 |
|
|
TCMBANKIN014270 |
Cheilanthifoline |
cheilanthifoline; CHEMBL1209678; cheilanthifolin(e); Chelianthifoline |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN014276 |
Adouetine X |
19542-37-1; (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-dimethylamino-4-methyl-pentanamide; C09993; (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-dimethylamino-4-methylpentanamide; adouetine x; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-diketo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-valeramide; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-pentanamide; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methylpentanamide |
C28H44N4O4 |
500.67 |
CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C)C(C)C |
|
TCMBANKIN014334 |
2,3-dihydro-7-hydroxy-3-methyl-1H-inden-1-one |
|
C10H10O2 |
162.19 |
CC1CC(=O)C2=C1C=CC=C2O |
|
TCMBANKIN014343 |
cubebinin |
|
C24H32O8 |
448.51 |
COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O |
|
TCMBANKIN014350 |
Tar |
95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN014351 |
1,6-bis(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene |
|
|
456.57 |
|
|
TCMBANKIN014360 |
schizonol |
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-; 35736-66-4; (5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE; CTK1B6730; SNBPZAIQWQXUCR-SSDOTTSWSA-N; (5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one; Schizonol; DTXSID80453772; (-)-1R-8-Hydroxy-p-menth-4-en-3-one; 2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one # |
C10H16O2 |
168.23 g/mol |
CC1CC=C(C(=O)C1)C(C)(C)O |
|
TCMBANKIN014378 |
Cyclohexylisocyanate |
ZINC01562082; Cyclohexyl isocyanate [UN2488] [Poison]; CYCLOHEXYL ISOCYANATE; Cyclohexane, isocyanato-; NCGC00090947-02; C105198_ALDRICH; InChI=1/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H; Isocyanic acid, cyclohexyl ester; CYCLOHEXYL,ISOCYANATE; EINECS 221-639-3; NCGC00090947-01; 3173-53-3; AI3-28283; NSC 87419; Cyclohexyl isocyanate; Isocyanatocyclohexane; UN2488; NSC87419 |
C7H11NO |
125.17 |
C1CCC(CC1)N=C=O |
|
TCMBANKIN014398 |
dauriporphinoline |
|
C19H15NO5 |
337.33 |
COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)O)C2=O |
|
TCMBANKIN014399 |
Eremophilene |
eremophilene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
TCMBANKIN014414 |
tanshinone Ⅵ |
|
296.34 |
45.637306 |
|
|
TCMBANKIN014416 |
Consume close grain |
|
|
302.3 |
|
|
TCMBANKIN014477 |
Phenylpropynoic acid |
637-44-5; Propiolic acid, phenyl-; NSC 13669; NSC13669; 2-Propynoic acid, 3-phenyl-; AD-266/40164861; ST5208978; Propiolic acid, phenyl- (8CI); Phenylacetylene monocarboxylic acid; 3-Phenylpropiolic acid; Propiolic acid, 3-phenyl-; EINECS 211-285-8; 3-phenylprop-2-ynoic acid; 78982_FLUKA; AI3-17875; Phenylpropiolic acid; 3-Phenylpropynoic acid; P31205_ALDRICH; Phenylacetylenecarboxylic acid |
C9H6O2 |
146.14 |
C1=CC=C(C=C1)C#CC(=O)O |
|
TCMBANKIN014519 |
1-(1,6,8-trihydroxy-3-methyl-2-naphthyl)ethanone |
1-(1,6,8-trihydroxy-3-methyl-naphthalen-2-yl)ethanone; 1-(1,6,8-trihydroxy-3-methylnaphthalen-2-yl)ethanone |
|
232.25 |
|
|
TCMBANKIN014532 |
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione |
|
|
398.44 |
|
|
TCMBANKIN014599 |
m-methoxycinnamic acid |
AC1NR68K; ZB002768; ST4015246; A840486; AKOS001710552; (2E)-3-(4-methoxyphenyl)prop-2-enoate; CJ-00607; STK870153; A0751/0035071; (E)-3-(4-methoxyphenyl)-2-propenoate; m-methoxycinnamicacid; trans-4-4ethoxycinnamic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate |
C10H9O3- |
177.18 g/mol |
COC1=CC=C(C=C1)C=CC(=O)[O-] |
|
TCMBANKIN014601 |
2,3-dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(E)-propenyl-benzofuran |
|
|
354.43 |
|
|
TCMBANKIN014613 |
trans-Sobrerol |
(1S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol; p-Menth-6-en-2,8-diol, trans; (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol; (1S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-1-cyclohex-2-enol; ZINC00407097; (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-cyclohex-2-en-1-ol |
C10H18O2 |
170.25 |
CC1=CCC(CC1O)C(C)(C)O |
|
TCMBANKIN014626 |
alginic acid |
BG01094448; AC-11039; L932; XJKJWTWGDGIQRH-IOPJEYNBSA-N; MFCD00081309; MolPort-039-144-939; (2R,4R,5S,6S)-3-{[(2R,3S,4R,5S,6S)-6-CARBOXY-3,4-DIHYDROXY-5-METHOXYOXAN-2-YL]OXY}-4,5-DIHYDROXY-6-METHYLOXANE-2-CARBOXYLIC ACID; C14H22O12; AKOS015960402 |
C14H22O12 |
382.32 g/mol |
CC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)C(=O)O)OC)O)O)O)O |
|
TCMBANKIN014627 |
Glycyrin |
CTK2F4785; UNII-994BQ9M3AV; AC1Q69MO; DTXSID50216255; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2-chromenone; 994BQ9M3AV; 3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CI; SCHEMBL5327472; CHEMBL132535; AIDS-095928; 3-(2,4-Dihydroxy-phenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one; 3-(2',4'-dihydroxyphenyl)-5,7-dimethoxy-2-isopentenylcoumarin; 4CN-3204; 3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin; CHEBI:69086; glycyrin; LMPK12160017; AC1LA3F7; MCULE-5289975867; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin; AIDS095928; 66056-18-6; ZINC5854529; AKOS032949083; NP-016587; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-2h-chromen-2-one |
C22H22O6 |
382.41 |
CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C |
|
TCMBANKIN014635 |
(2S)-heptan-2-amine |
(S)-()-2-Aminoheptane; 462632_ALDRICH; [(1S)-1-methylhexyl]amine |
C7H17N |
115.22 |
CCCCCC(C)N |
|
TCMBANKIN014655 |
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1,3-diol |
|
|
320.37 |
|
|
TCMBANKIN014663 |
Ethyltrimethylethylene |
FR-2400; 2,3-dimethylpent-2-ene; 2-Pentene, 2,3-dimethyl-; 10574-37-5; 2,3-DIMETHYL-2-PENTENE |
C7H14 |
98.19 |
CCC(=C(C)C)C |
|
TCMBANKIN014671 |
miltionone Ⅰ |
|
312.39 |
49.684394 |
|
|
TCMBANKIN014683 |
Tobacco ene |
|
C9H6Cl6O3S |
|
C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
|
TCMBANKIN014732 |
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol |
C20H24O5 |
344.4 |
|
|
TCMBANKIN014749 |
pulegene |
|
|
124.25 |
|
|
TCMBANKIN014752 |
methyl (2S)-3-hydroxy-2-phenylpropanoate |
(2S)-3-hydroxy-2-phenylpropanoic acid methyl ester; methyl (2S)-3-hydroxy-2-phenyl-propanoate; (2S)-3-hydroxy-2-phenyl-propionic acid methyl ester |
C10H12O3 |
180.2 |
|
|
TCMBANKIN014758 |
Gossypetin hexamethyl ether |
DTXSID60228122; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one; 7741-47-1; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-4-chromenone; gossypetinhexamethyl ether; SCHEMBL988273; 3,5,7,8,3',4'-Hexamethoxyflavone; 3,3',4',5,7,8-Hexamethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromone; LMPK12113255; AC1L3SJ8; 2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one; gossypetin hexamethyl ether; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy- |
C21H22O8 |
402.39 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC |
|
TCMBANKIN014779 |
noricariside_qt |
|
C26H30O12 |
534.51 |
|
|
TCMBANKIN014780 |
9-Hydroxyglabratolide |
NSC-277283; NSC277283; 9-hydroxyglabratolide; GLABRATOLIDE, 9-HYDROXY- B800379K299 |
C19H24O6 |
348.4 g/mol |
CC1=CC2C(C(C(C(=CCC1)C=O)O)OC(=O)C(C)C)C(=C)C(=O)O2 |
|
TCMBANKIN014791 |
Lotusine G |
|
|
440.65 |
|
|
TCMBANKIN014793 |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane; nchembio.2007.29-comp12; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN014805 |
(2R)-2-methylcyclopentan-1-one |
(2R)-2-methyl-1-cyclopentanone; ZINC01686501; InChI=1/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H |
C6H10O |
98.14 |
|
|
TCMBANKIN014823 |
ZINC02539267 |
(2E,4R)-2,4-dimethylhepta-2,6-dienal |
C9H14O |
138.21 |
|
|
TCMBANKIN014833 |
3-[(3R)-3-methyl-1-piperidyl]propylamine |
3-[(3R)-3-methyl-1-piperidyl]propan-1-amine; 3-[(3R)-3-methyl-1-piperidinyl]propan-1-amine; 3-[(3R)-3-methylpiperidin-1-yl]propan-1-amine |
C9H20N2 |
156.27 |
|
|
TCMBANKIN014908 |
ZINC00388662 |
|
C12H20O2 |
196.29 |
|
|
TCMBANKIN014943 |
mukurozioside Ia_qt |
mukurozioside Iia_qt; Mukurozioside Ⅱa_qt; Mukurozioside II_qt |
C51H88O28 |
1149.23 |
|
|
TCMBANKIN014952 |
SENECIC ACID |
38880_FLUKA; LMFA01020097; ST5207953; EINECS 208-782-7; beta,beta-Dimethylacrylic acid; beta-Methylcrotonic acid; NSC 2549; BRN 1720305; NSC2549; Senecioic acid; D138606_ALDRICH; beta,beta-Dimethacrylic acid; 2-Butenoic acid, 3-methyl-; beta,beta-dimethyl acrylic acid; NSC97179; InChI=1/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7; WLN: QV1UY1&1; AI3-23985; AE-848/32066036; 3-Methyl-2-butenoic acid; 3-methylbut-2-enoic acid; FEMA No. 3187; Kyselina 3-methyl-2-butenova [Czech]; 3-Methylcrotonic acid; 541-47-9; .beta.-Methylcrotonic acid; .beta.,.beta.-Dimethacrylic acid; Crotonic acid, 3-methyl-; .beta.,.beta.-Dimethylacrylic acid; 4-02-00-01555 (Beilstein Handbook Reference); beta-Methylcrotonic acid;; W318701_ALDRICH; 3,3-Dimethylacrylic acid; CHEBI:37127 |
C5H8O2 |
100.12 |
CC(=CC(=O)O)C |
|
TCMBANKIN015005 |
Durenol |
51002-84-7; 50356-14-4; CCRIS 5844; Phenol, 2,3,5,6-tetramethyl-; AG-777/36181010; 527-35-5; 2,3,5,6-Tetramethylphenol; EINECS 208-415-0; NSC 65612; Phenol, tetramethyl-; NSC65612; NCIOpen2_000269 |
C10H14O |
150.22 |
CC1=CC(=C(C(=C1C)O)C)C |
|
TCMBANKIN015018 |
(2S,3S,4aR,8aR)-2,3-dimethyldecalin |
(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
|
166.34 |
|
|
TCMBANKIN015021 |
1,5,6-trimethoxyphenanthrene-2,7-diol |
|
C17H16O5 |
300.31 |
|
|
TCMBANKIN015054 |
cis-linalol pyranoxide |
linalool oxide D (cis-THP); cis-Linalool Oxide, pyranoid; (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3R,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; cis-Linalol oxide (pyranoid); (3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol |
C10H18O2 |
170.25 g/mol |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN015058 |
4',5,7-trihydroxy-6-methyl-8-methoxy-homoisoflavanone |
|
|
330.36 |
|
|
TCMBANKIN015060 |
Anisketone |
1-(p-Methoxyphenyl)-2-propanone (natural); 64861_FLUKA; NSC 22983; 4-08-00-00460 (Beilstein Handbook Reference); 2-Propanone, 1-(4-methoxyphenyl)-; FEMA No. 2674; 122-84-9; Anisyl methyl ketone; p-Methoxybenzyl methyl ketone; InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H; p-Methoxyphenylacetone; ST5406450; 1-(4-Methoxyphenyl)-2-propanone; 1-(p-Anisyl)-2-propanone; 2-Propanone, 1-(p-methoxyphenyl)-; ghl.PD_Mitscher_leg0.658; (p-Methoxyphenyl)-2-propanone; p-Anisylactone; EINECS 204-578-7; AI3-37913; Anisic ketone; 1-(4-methoxyphenyl)propan-2-one; BRN 2044332; 1-(4-methoxyphenyl)acetone; 4'-Methoxyphenyl-2-propanone; p-Acetonylanisole; W267406_ALDRICH; Anisolacetone; anisketone; 199176_ALDRICH; 4-Methoxyphenylacetone; 2-Propanone, (p-methoxyphenyl)-; 1-(p-Methoxyphenyl)-2-propanone; NSC46101; ZINC01848437; NSC22983; 4-Methoxybenzyl methyl ketone; Anisalacetone |
C10H12O2 |
164.2 |
CC(=O)CC1=CC=C(C=C1)OC |
|
TCMBANKIN015077 |
2-Nonynoic acid |
non-2-ynoic acid; 1846-70-4; alpha-Nonynoic acid; NSC75864; LMFA01030504; ST5409323 |
C9H14O2 |
154.21 |
CCCCCCC#CC(=O)O |
|
TCMBANKIN015137 |
Hydroxygenkwanin |
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one; ACon1_000842; MEGxp0_000798; AIDS-219930; AIDS219930; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone; hydroxygenkwanin; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone |
C22H22O11 |
462.4 |
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN015169 |
schizonepetoside E_qt |
|
|
186.28 |
|
|
TCMBANKIN015186 |
epimedoside D |
epimedoside d |
C37H46O19 |
794.7 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O |
|
TCMBANKIN015205 |
Dihydrochelirubine |
C05194; 28342-26-9; 13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; CHEBI:17789; 5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine |
C21H17NO5 |
363.36 |
CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
|
TCMBANKIN015220 |
(6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-; (R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one; EINECS 224-957-0; (6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 4573-50-6; (6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN015223 |
WLN: NCR B1 |
2-Cyanotoluene; o-Toluic nitrile; EINECS 208-451-7; o-Tolunitrile; NSC66549; 2-Toluenkarbonitril [Czech]; 529-19-1; ZINC01693950; 2-Methylbenzenecarbonitrile; Benzonitrile, methyl-; METHYLBENZONITRILE; 89660_ALDRICH; 1-Methyl-2-cyanobenzene; o-Cyanotoluene; 2-Methylbenzonitrile; o-Methylbenzonitrile; Benzonitrile, 2-methyl-; NCGC00091316-01; o-Tolylnitrile; AI3-17128; InChI=1/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H; CCRIS 1286; NSC 66549; 25550-22-5; o-Toluonitrile |
C8H7N |
117.15 g/mol |
CC1=CC=CC=C1C#N |
|
TCMBANKIN015234 |
Eriodyctiol (flavanone) |
(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one; ZINC00058116; (2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; (2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; 4049-38-1; NCI60_017216; NSC649412 |
C15H12O6 |
288.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN015244 |
(3S)-2,3-dimethylpentane |
|
C7H16 |
100.2 |
|
|
TCMBANKIN015270 |
isoacteoside_qt |
|
C29H36O15 |
624.59 |
|
|
TCMBANKIN015306 |
Dehydroglaucine |
AC1Q4FGT; TimTec1_003612; MCULE-9517315258; NSC708924; 4H-Dibenzo(de,g)quinoline, 5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; 5,6-Dihydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; ZINC01092562; DTXSID30176762; ST048855; 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4h-dibenzo[de,g]quinoline; CTK4E8912; NCGC00142406-01; 4H-Dibenzo[de,g]quinoline,5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; HMS1544E04; AC1L9HB7; NCGC00017261-01; MolPort-004-954-691; TNP00164; SCHEMBL14029309; Didehydroglaucine; NSC-708924; ZINC1092562; 22212-26-6; AKOS024281802; dehydroglaucine; NCGC00017261-02; 4,5,15,16-TETRAMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE; CHEMBL1412163; NCI60_038488 |
C21H23NO4 |
353.41 |
CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC |
|
TCMBANKIN015342 |
D 3 (ester) |
Monomethyl 1,2-benzenedicarboxylate; NCGC00164438-01; NSC8281; 36926_RIEDEL; D 3 (VAN); Methyl hydrogen phthalate; InChI=1/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11; Phthalic acid, monomethyl ester; Methyl phthalate; o-(Methoxycarbonyl)benzoic acid; 317640_ALDRICH; mono-Methyl phthalate; 2-carbomethoxybenzoic acid; EINECS 224-476-6; Methyl phthalate (VAN); NSC 8281; 1,2-Benzenedicarboxylic acid, monomethyl ester (9CI); AR-360/13197749; 4376-18-5; D 3; SBB007828; FR-0410; 2-(methoxycarbonyl)benzoic acid; Phthalic acid, monomethyl ester (8CI); 2-methoxycarbonylbenzoic acid; AI3-02332; 80160_FLUKA; Monomethyl phthalate; 1,2-Benzenedicarboxylic acid, monomethyl ester |
C9H8O4 |
180.16 |
COC(=O)C1=CC=CC=C1C(=O)O |
|
TCMBANKIN015370 |
malvidin |
malvidin ; Malvidin-3,5-diglucoside_qt |
C17H15O7+ |
331.3 g/mol |
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
|
TCMBANKIN015378 |
Spiroxabovolide |
|
C11H16O3 |
196.24 |
CC1CCCC2(O1)C(=C(C(=O)O2)C)C |
|
TCMBANKIN015383 |
(R)-5-methylfuran-2(5H)-one |
CHEBI:36443; (5R)-5-methylfuran-2(5H)-one; (5R)-5-methyl-5H-furan-2-one |
C5H6O2 |
98.1 g/mol |
CC1C=CC(=O)O1 |
|
TCMBANKIN015400 |
leiocarposide_qt |
|
C27H34O16 |
614.55 |
|
|
TCMBANKIN015419 |
kaempferol,3-glucoside |
|
C21H20O11 |
448.38 |
|
|
TCMBANKIN015420 |
Corylon |
80-71-7; 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-; CCRIS 2940; 3-Methylcyclopentane-1,2-dione; 2-hydroxy-3-methyl-1-cyclopent-2-enone; 3-Methylcyclopent-2-en-2-ol-1-one; AI3-36598; 2-Hydroxy-3-methylcyclopent-2-enone; EINECS 201-303-2; AIDS-017591; AIDS017591; 2-Hydroxy-1-methylcyclopenten-3-one; 2-hydroxy-3-methyl-cyclopent-2-en-1-one; NCIOpen2_001017; BRN 2039308; NSC 133445; NSC133445; Maple lactone; InChI=1/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H; Cyclotene (ordorant); 3-Methylcyclopentane-1,2-dione hydrate; Cyclotene; Cycloten; EPA Pesticide Chemical Code 004049; 3-Methyl-2-cyclopentene-2-ol-1-one; 2-hydroxy-3-methylcyclopent-2-en-1-one; NSC84226; Corylone; 3-Methyl-2-hydroxy-2-cyclopentenone |
C6H8O2 |
112.13 |
CC1=C(C(=O)CC1)O |
|
TCMBANKIN015421 |
scabraside_qt |
|
C40H44O20 |
844.77 |
|
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN015474 |
Dichotomitin |
9-hydroxy-7-(3-hydroxy-4,5-dimethoxy-phenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 9-HYDROXY-7-(3-HYDROXY-4,5-DIMETHOXYPHENYL)-2H-[1,3]DIOXOLO[4,5-G]CHROMEN-8-ONE; AC1NSUH9; AK554330; MFCD28166494; 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 3',4'-dimethoxy-5',5-dihydroxy-6,7-methylenedioxyisoflavone; 88509-91-5; DTXSID10237087; AKOS030530363; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; LMPK12050420; 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-; dichotomitin; 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-; FT-0718285; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one; 3',4'-Dimethoxy-5,5'-dihydroxy-6,7-(epoxymethanoxy)isoflavone |
C18H14O8 |
358.3 |
COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4 |
|
TCMBANKIN015495 |
Diethylacetic acid |
NSC 11765; EINECS 201-796-4; AI3-04629; InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8; Acetic acid, diethyl-; 2-Ethylbutanoic acid; LMFA01020077; 3-Pentanecarboxylic acid; diethyl acetic acid; BRN 1098634; 88-09-5; NSC11765; 2-ethyl-butanoic acid; FEMA No. 2429; 2-Ethyl butanoic acid; NSC8758; Butyric acid, 2-ethyl-; alpha-Ethylbuytyric acid; 03190_FLUKA; .alpha.-Ethylbutyric acid; 4-02-00-00950 (Beilstein Handbook Reference); WLN: QVY2&2; Butanoic acid, 2-ethyl-; 2-Ethylbutyric acid; alpha-Ethylbutyric acid; 109959_ALDRICH; 134331-89-8; W242918_ALDRICH; Kyselina diethyloctova [Czech] |
C6H12O2 |
116.16 g/mol |
CCC(CC)C(=O)O |
|
TCMBANKIN015528 |
levodopa |
Dopaston SE; Helfo-dopa; Eurodopa; Dopastral; Veldopa; Biodopa; Dopal; BSPBio_000053; Levedopa; SPBio_000391; L-O-Hydroxytyrosine; .Beta.-(3,4-Dihydroxyphenyl)-L-alanine; SPECTRUM2300205; Spectrum2_000496; beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine; KBio2_000934; 3,4-Dihydroxyphenylalanine (VAN); Cidandopa; (-)-Dopa; Pardopa; Levodopa (JP15/USP/INN); (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid; D9628; Dihydroxy-L-phenylalanine; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-; Levodopum [INN-Latin]; DivK1c_000452; (-)-(3,4-Dihydroxyphenyl)alanine; L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine; Prestwick3_000017; Brocadopa; L(-)-Dopa; EINECS 200-445-2; SDCCGMLS-0066924.P001; 3,4-Dihydroxyphenylalanine; Levopa; Dopar (TN); Dopal-fher; PDSP1_001541; Spectrum5_001899; L-(o-Dihydroxyphenyl)alanine; BPBio1_000059; Dopaflex; NSC118381; CHEBI:15765; nchembio.2007.55-comp26; 72572-99-7; Syndopa; Eldopatec; Lopac-D-9628; Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-; Ro 4-6316; KBio2_006070; DAH; .Beta.-(3, 4-Dihydroxyphenyl)alanine; Dopalina; Doparl; KBioGR_001177; 3-Hydroxytyrosine; Lopac0_000454; InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14; KBioSS_000934; Cerepar; Dopaston; L-Dihydroxyphenylalanine; L-3-Hydroxytyrosine; L-O-Dihydroxyphenylalanine; AIDS126624; beta-(3,4-dihydroxyphenyl)alanine; Prestwick1_000017; Helfo DOPA; AIDS-126624; Dopasol; L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; Alanine, 3-(3,4-dihydroxyphenyl)-; Tyrosine, 3-hydroxy-; NINDS_000452; NCGC00016270-01; Eldopar; Insulamina; NCGC00015384-01; D9628_SIGMA; Prodopa; PDSP2_001525; Dopaidan; Dopar; C00355; L-(-)-Dopa; KBio1_000452; Bendopa; Spectrum4_000539; D00059; 3,4-Dihydroxyphenyl-L-alanine; L-3-(3,4-Dihydroxyphenyl)alanine; CAS-59-92-7; CCRIS 3766; L-beta-(3,4-Dihydroxyphenyl)alanine; 23734-74-9; Levodopa; L-(3, 4-Dihydroxyphenyl)alanine; Sobiodopa; EU-0100454; Larodopa; Levodopa [USAN:BAN:INN:JAN]; L-.Beta.-(3,4-Dihydroxyphenyl)alanine; L Dopa; IDI1_000452; 88250-23-1; Doprin; Spectrum_000454; Component of Sinemet; 37830_FLUKA; Cerepap; Prestwick0_000017; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; ST5330614; 25525-15-9; Prestwick_185; L-Tyrosine, 3-hydroxy-; 34241-25-3; 3, 4-Dihydroxy-L-phenylalanine; 72573-00-3; 90638-38-3; Doparkine; Prestwick2_000017; Eldopal; beta-(3,4-Dihydroxyphenyl)-L-alanine; MLS000028514; 3-Hydroxy-L-tyrosine; (-)-3-(3,4-Dihydroxyphenyl)-L-alanine; BSPBio_002354; SMR000058312; 3-(3,4-Dihydroxyphenyl)-L-alanine; SPBio_001974; HSDB 3348; NSC 118381; 587-45-1; Maipedopa; 3, 4-Dihydroxyphenylalanine; KBio2_003502; Deadopa |
C9H11NO4 |
197.19 |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O |
|
TCMBANKIN015542 |
SHANZHISIDE_qt |
|
|
230.24 |
|
|
TCMBANKIN015592 |
Heptan-3-on |
Ethylbutylcetone; Aethylbutylketon [German]; 03220_FLUKA; Etilbutilchetone [Italian]; Ethyl butyl ketone 3-Heptanone; N-Butyl ethyl ketone; 02477_FLUKA; Heptan-3-one; 3-Heptanone solution; WLN: 4V2; Ethyl butyl ketone; Ethylbutylketon [Dutch]; FEMA No. 2545; Ethyl n-butyl ketone; Aethylbutylketon; W254509_ALDRICH; AI3-19684; InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H; NSC 8448; HSDB 1816; Butyl ethyl ketone; Ethylbutylketon; BRN 0506161; 3-HEPTANONE; H6511_SIGMA; Etilbutilchetone; 4-01-00-03321 (Beilstein Handbook Reference); NSC8448; Eptan-3-one; 551325_ALDRICH; 106-35-4; Ethyl-n-butyl ketone; Ethylbutylcetone [French]; Heptan-3-on [Dutch, German]; EINECS 203-388-1; Eptan-3-one [Italian]; ZINC01586745; 46203_RIEDEL |
C7H14O |
114.19 |
CCCCC(=O)CC |
|
TCMBANKIN015599 |
Scopine |
scopine; AKOS006295363; S-7354; C-36518; FCH853097 |
C8H13NO2 |
155.19 |
CN1C2CC(CC1C3C2O3)O |
|
TCMBANKIN015632 |
forsythidmethylester_qt |
|
|
242.25 |
|
|
TCMBANKIN015684 |
dehydrocavidine |
|
|
351.43 |
|
|
TCMBANKIN015686 |
DIMETHYL SUBERATE |
Octanedioic acid, dimethyl ester; octanedioic acid dimethyl ester; 1732-09-8; suberic acid dimethyl ester; 149012_ALDRICH; ZINC02039283; Dimethyl octanedioate; EINECS 217-059-5; Suberic acid, dimethyl ester |
C10H18O4 |
202.25 |
COC(=O)CCCCCCC(=O)OC |
|
TCMBANKIN015690 |
(1'R,3S,4a'S,5a'S,10a'R)-1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylic acid |
|
|
354.44 |
|
|
TCMBANKIN015701 |
cyclobutylbenzene |
4392-30-7; Benzene, cyclobutyl-; Cyclobutane, phenyl- |
C10H12 |
132.2 |
C1CC(C1)C2=CC=CC=C2 |
|
TCMBANKIN015745 |
α-Citronellal |
|
C10H18O |
154.25 |
|
|
TCMBANKIN015746 |
CNH |
00591_FLUKA; Acetoncyanhydrin; AI3-04257; Acetone cyanohydrin; 59182-86-4; HSDB 971; acetone-cyanohydrin; 2-Hydroxyisobutyronitrile; RCRA waste number P069; 2-hydroxy-2-methyl-propanenitrile; Acetonecyanhydrine; C02659; Acetoncianidrina [Italian]; Acetonkyanhydrin; 4-03-00-00785 (Beilstein Handbook Reference); 2-Hydroxy-2-methylpropionitrile; A10000_ALDRICH; Acetone cyanhydrin; Acetoncianhidrinei [Romanian]; 75-86-5; 2-Cyano-2-hydroxypropane; NSC 131093; NSC7080; Acetoncianhidrinei; .alpha.-Hydroxyisobutyronitrile; 2-Cyano-2-propanol; Acetoncianidrina; Cyanhydrine d'acetone; SBB004397; 2-Propanone, cyanohydrin; Acetoncyaanhydrine; NSC131093; UN1541; BRN 0605391; Lactonitrile, 2-methyl-; CHEBI:15348; Acetone cyanohydrin, stabilized; Acetonkyanhydrin [Czech]; Acetone cyanohydrin, stabilized [UN1541] [Poison]; WLN: QX1&1&CN; alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; EINECS 200-909-4; Cyanhydrine d'acetone [French]; Acetoncyaanhydrine [Dutch]; Acetoncyanhydrin [German]; RCRA waste no. P069; Usaf rh-8; InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H; 2-Methyllactonitrile; Acetonecyanhydrine [French]; Propanenitrile, 2-hydroxy-2-methyl-; 2-hydroxy-2-methyl-propionitrile; CCRIS 4657; NSC977 |
C4H7NO |
85.1 |
CC(C)(C#N)O |
|
TCMBANKIN015753 |
1,7-diphenyl-5-hydroxy-3-heptanone |
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-,(R)- |
C19H22O2 |
282.38 |
C1=CC=C(C=C1)CCC(CC(=O)CCC2=CC=CC=C2)O |
|
TCMBANKIN015754 |
2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN015766 |
WLN: SH1R |
EINECS 202-862-5; alpha-Toluolthiol; .alpha.-Toluenethiol; 543934_ALDRICH; c0895; HSDB 2105; Thiobenzyl alcohol; 16528-58-8; FEMA No. 2147; Benzenemethanethiol; W214701_ALDRICH; InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; 4-06-00-02632 (Beilstein Handbook Reference); ZINC03873647; 13540_FLUKA; Phenylmethanethiol; NSC 41897; 63767_FLUKA; Benzylthiol; alpha-Tolyl mercaptan; .alpha.-Toluolthiol; 589985_ALDRICH; USAF ex-1509; (Mercaptomethyl)polystyrene; Methanethiol, phenyl-; NSC41897; BRN 0605864; Thiol, polymer-bound; Benzylhydrosulfide; (Mercaptomethyl)benzene; .alpha.-Tolyl mercaptan; NSC229567; 100-53-8; Usaf ek-1509; B25401_ALDRICH; Benzyl hydrosulfide; alpha-Toluenethiol; Phenylmethyl mercaptan; Toluene, alpha-mercapto-; AI3-22955; Mercaptomethyl, polymer-bound; .alpha.-Mercaptotoluene; BENZYL MERCAPTAN; alpha-Mercaptotoluene; Toluene-alpha-thiol |
C7H8S |
124.21 g/mol |
C1=CC=C(C=C1)CS |
|
TCMBANKIN015829 |
Zizybeoside I |
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(benzyloxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; C17564; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; Benzyl 2-O-beta-D-glucopyranosyl beta-D-glucopyranoside; 10-44-6; zizybeoside i; CHEBI:81187 |
C19H28O11 |
432.4 g/mol |
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN015838 |
3-methoxy-1H-quinazoline-2,4-dione |
2,4(1H,3H)-Quinazolinedione, 3-methoxy-; 3-methoxy-1H-quinazoline-2,4-quinone; 3-Methoxy-2,4(1H,3H)-quinazolinedione; NSC193560; 41120-18-7 |
C9H8N2O3 |
192.17 |
CON1C(=O)C2=CC=CC=C2NC1=O |
|
TCMBANKIN015846 |
Sympamin |
(S)-alpha-methylbenzeneethanamine; (+)-alpha-Methylphenylethylamine; (S)-(+)-beta-Phenylisopropylamine; Dexamfetamine (INN); Dextroamphetamine; Benzeneethanamine, alpha-methyl-, (alphaS)-; Phenethylamine, alpha-methyl-, d-; d-1-Phenyl-2-aminopropan [German]; Dexanfetamina [INN-Spanish]; Benzeneethanamine, alpha-methyl-, (S)-; 4-12-00-02587 (Beilstein Handbook Reference); D03740; (S)-alpha-Methylphenethylamine; (2S)-1-phenylpropan-2-amine; D-(+)-Amphetamine; (+)-alpha-Methylphenethylamine; Dextroamphetamine [USAN]; PDSP2_001495; d-alpha-Methylphenethylamine; Phenethylamine, alpha-methyl-, (+)- (8CI); [(1S)-1-methyl-2-phenyl-ethyl]amine; 51-64-9; Dexamfetamine; Dexidrine; (alphaS)-alpha-methylbenzeneethanamine; (+)-Phenaminum; Dexadrine; (+)-(S)-Amphetamine; alpha-Methylphenethylamine, d-form; C07884; Dextroamphetamine (USAN); Desamfetamina [DCIT]; Dexamphetaminum [INN-Latin]; (S)-1-Phenyl-2-aminopropane; Dexamfetamina [INN-Spanish]; (S)-1-Phenyl-2-propanamine; (2S)-(+)-Amphetamine; PDSP1_001511; BRN 2205872; HSDB 3055; NSC 73713; Dexamfetaminum [INN-Latin]; EINECS 200-112-1; CHEBI:4469; DEA No. 1100; (S)-1-Phenyl-2-propylamine; Desamfetamina; Benzeneethanamine, alpha-methyl-, (aS)- (9CI); (S)-alpha-Phenylethylamine; Phenethylamine, alpha-methyl-, (+)- |
C9H13N |
135.21 |
CC(CC1=CC=CC=C1)N |
|
TCMBANKIN015847 |
forsythide_qt |
|
|
228.22 |
|
|
TCMBANKIN015855 |
4,5-Dimethyloctane, threo |
(4R,5R)-4,5-dimethyloctane; 4,5-dimethyloctane, racemic |
C10H22 |
142.28 |
CCCC(C)C(C)CCC |
|
TCMBANKIN015918 |
Isouvaretin |
1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl; 1-[4,6-dihydroxy-3-(2-hydroxybenzyl)-2-methoxy-phenyl]-3-phenyl-propan-1-one; 61463-03-4; 1-Propanone, 1-(4,6-dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-; 1-(4,6-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone; 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxy-phenyl]-3-phenyl-propan-1-one; C09759; NSC295674; NSC-295674; DTXSID60210406; LMPK12120467; 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl]-3-phenylpropan-1-one; CHEBI:6068; AC1L46SX; Chamuvarin; isouvaretin; CHAMUVARITIN II |
C23H22O5 |
378.42 |
COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O |
|
TCMBANKIN015945 |
(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol |
MEGxp0_001133; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; ACon1_001168; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol |
C19H22O6 |
346.37 |
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O |
|
TCMBANKIN015975 |
N-p-coumaroyloctopamine |
|
C17H17NO4 |
299.32 |
|
|
TCMBANKIN016000 |
p-Acetoxycinnamic acid |
(E)-3-(4-acetoxyphenyl)acrylic acid; Cinnamic acid, p-hydroxy-, acetate; 15486-19-8; 3-(4-acetoxyphenyl)acrylic acid; (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid; 3-(4-acetyloxyphenyl)prop-2-enoic acid; AI3-31929; NSC40967; AQ-917/42754023; 3-(4-acetoxyphenyl)prop-2-enoic acid; (E)-3-(4-acetoxyphenyl)prop-2-enoic acid; 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-; 2-Propenoic acid, 3-(4-(acetyloxy)phenyl)-; NSC 40967; EINECS 239-512-6; 4-Acetoxycinnamic acid |
C11H10O4 |
206.19 |
CC(=O)OC1=CC=C(C=C1)C=CC(=O)O |
|
TCMBANKIN016003 |
Dehydronantenine |
55898-15-2; CCRIS 3822 |
C20H19NO4 |
337.37 |
CN1CCC2=CC(=C(C3=C4C=C5C(=CC4=CC1=C23)OCO5)OC)OC |
|
TCMBANKIN016040 |
Palaudine |
5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxy-phenol; 5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol; Phenol, 5-((6,7-dimethoxy-1-isoquinolinyl)methyl)-2-methoxy-; 5-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxy-phenol; 18694-10-5; 3'-Hydroxypapaverine; 5-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxyphenol; palaudine |
C19H19NO4 |
325.36 |
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O |
|
TCMBANKIN016043 |
1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one |
NSC270890; 52601-05-5; 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-, (E)-; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one; 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-prop-2-en-1-one; 51619-57-9; (E)-1-(2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-prop-2-en-1-one |
C20H20O3 |
308.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=CC=C2)O)C |
|
TCMBANKIN016068 |
ZINC01615307 |
(5aR,8aR,9S)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one |
C22H22O8 |
414.41 |
|
|
TCMBANKIN016075 |
ST057701 |
NCGC00142558-01 |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC |
|
TCMBANKIN016099 |
(+)-cis-Isopulegone |
CHEBI:37047; C11951; (2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; LMPR01020095; (2R,5R)-2-isopropenyl-5-methyl-1-cyclohexanone; (2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one; (2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN016154 |
3beta-Hydroxytanshinone IIA |
(7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; CHEMBL377478; AC1NSWQG; 3β-hydroxytanshinone iia; 3beta-hydroxytanshinone iia; 3-hydroxytanshinone; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
C19H18O4 |
310.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
|
TCMBANKIN016167 |
davallioside B_qt |
|
C25H29NO12 |
535.5 |
|
|
TCMBANKIN016181 |
Chrysosplenetin |
5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; chrysosplenetin; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromone; Quercetagetin 3,6,7,3'-tetramethyl ether; 4H-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; Chrysosplenetin B; 603-56-5; 69234-29-3; C10030 |
C19H18O8 |
374.34 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
|
TCMBANKIN016213 |
Zingiberenol |
zingiberenol |
C15H26O |
222.37 |
CC(CCC=C(C)C)C1CCC(C=C1)(C)O |
|
TCMBANKIN016237 |
Lactucopicrin |
lactucopicrin |
C23H22O7 |
410.42 |
CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN016238 |
AMG |
Methyl alpha-D-galactopyranoside; 34004-14-3; (2S,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol; ALPHA-METHYL-D-GALACTOSIDE; Methyl alpha-D-galactoside; M1379_SIGMA; ZINC04262102; EINECS 222-251-7; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 66916_FLUKA |
C7H16O7 |
212.2 g/mol |
COC1C(C(C(C(O1)CO)O)O)O.O |
|
TCMBANKIN016287 |
Guggulsterol IV |
|
C27H44O3 |
416.64 |
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(=O)C4)C)O)C |
|
TCMBANKIN016300 |
Sigmoidin-B |
(2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromanone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-di- hydroxy-, (S)-; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-dihydroxy-, (S)-; Sigmoidin B; 87746-47-2; AIDS-071729; (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one; (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychroman-4-one; AIDS071729 |
C20H20O6 |
356.37 |
CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C |
|
TCMBANKIN016328 |
Estan |
Androst-4-en-3-one, 17.beta.-hydroxy-17-methyl-; 17.alpha.-Methyltestosterone; 69240_FLUKA; SMR000058528; Premarin with Methyltestosterone; Androst-4-en-3-one, 17beta-hydroxy-17-methyl-; Androst-4-en-3-one, 17-beta-hydroxy-17-methyl-; Methyltestosterone; Dianabol; Homandren (VAN); U 2842; Dumogran; Methyltestosteronum [INN-Latin]; Metandren; Androsan; 17-beta-Hydroxy-17-methylandrost-4-en-3-one; NSC9701; ZINC03814422; Syndren; Homandren, tablets; Synandrotabs; 17-Hydroxy-17-methyl-3-keto-androstene-4; Neo-Hombreol [M]; Malogen; component of Gynetone; 17alpha-Methyl-3-oxo-4-androsten-17beta-ol; METHYL TESTOSTERONE; component of Estan; EINECS 200-366-3; RU 24400; Androsan, tablets; Testred; 4-08-00-01010 (Beilstein Handbook Reference); 46444_RIEDEL; Stenolon; Testoviron (VAN); Methyltestosterone [USAN:BAN:INN:JAN]; Malestrone; 17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one; Testoviron; Testoviron (tablet); 4-Androstene-17-alpha-methyl-17-beta-ol-3-one; Androsan (tablets); Mesterone; 1300-17-0; BRN 2057425; Androst-4-en-3-one, 17-hydroxy-17-methyl-, (17beta)-; Neo-Hombreol-M; Oreton Methyl; Homandren; Synandrets; 69241_FLUKA; Neo-Homobreol [M]; Orchisterone-M; Metiltestosterona [INN-Spanish]; 4-Androstene-17alpha-methyl-17beta-ol-3-one; CDB 110; Testred (TN); M7252_SIGMA; Anertan; Metiltestosterone [DCIT]; Anertan (tablets); CCRIS 3723; WLN: L E5 B666 OV MUTJ A E FQ F -B&AEF; Testovis (tablet); M.T.Mucorettes; Glosso sterandryl; 4-Androstene-17.alpha.-methyl-17.beta.-ol-3-one; Oreton-M; NSC 139965; 17alpha-Methyl-4-androsten-17beta-ol-3-one; Android (TN); D00408; Testora; NCGC00091009-01; Androst-4-en-3-one, 17-hydroxy-17-methyl-, (17.beta.)-; (17beta)-17-hydroxy-17-methylandrost-4-en-3-one; 17alpha-Methyltestosterone; 17beta-Hydroxy-17-methylandrost-4-en-3-one; Mastestona; Steronyl; Androsan (VAN); 31745-24-1; Metestone; Android; LMST02020029; Andrometh; Testovis Depot; Methyltestosterone (JP15/USP/INN); 17beta-Hydroxy-17alpha-methyl-4-androsten-3-one; C07198; Nu-man; 17.alpha.-Methyl-3-oxo-4-androsten-17.beta.-ol; Oraviron; component of Tylosterone; Anertan, tablets; Estratest; (17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one; Nabolin; 17-Methyltestosteron; NSC-9701; Hormale; NCGC00091009-03; 17alpha-Methyl-delta-androsten-17beta-ol-3-one; NSC139965; Glosso-Sterandryl; L 589.372; HSDB 3365; Testosterone, 17-methyl-; Anertan (VAN); 17-Methyltestosterone; Masenone; Metrone; 58-18-4; MLS000759474; (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; Androsten; Oreton M; Testhormone |
C20H30O2 |
302.45 |
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C |
|
TCMBANKIN016391 |
N-Nitroso-3-pyrroline |
2,5-Dihydro-1-nitroso-1H-pyrrole; BRN 0106739; 1-nitroso-3-pyrroline; 3-PYRROLINE, N-NITROSO-; 3-Pyrroline, 1-nitroso-; Nitroso-3-pyrrolin [German]; 10552-94-0; 1H-Pyrrole, 2,5-dihydro-1-nitroso-; 5-20-04-00277 (Beilstein Handbook Reference); 1-nitroso-2,5-dihydropyrrole |
C4H6N2O |
98.1 |
C1C=CCN1N=O |
|
TCMBANKIN016396 |
SMR000445689 |
MLS000728482 |
C22H26O6 |
386.44 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)O)OCO3 |
|
TCMBANKIN016405 |
3,3',4-tri-O-methylellagic acid |
3,3', 4-tri-o-methylellagic acid; 3,3',4-tri-o-methylellagic acid; 3,3',4-tri-o-methyl ellagicacid; 3,3',4-tri-o-methyl ellagic acid |
|
346.31 |
|
|
TCMBANKIN016410 |
Delphinidin-3-monoglucoside |
delphinidin-3-monoglucoside |
C21H21ClO12 |
500.8 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-] |
|
TCMBANKIN016437 |
1-methyl-1H-indene |
|
C10H10 |
130.19 |
CC1C=CC2=CC=CC=C12 |
|
TCMBANKIN016446 |
scopoline |
|
C8H13NO2 |
155.19 |
CN1C2CC3CC1C(C2O)O3 |
|
TCMBANKIN016459 |
didymin |
didymin_qt; poncirin_qt; isosakuranetin-7-rutinoside_qt |
C28H34O14 |
594.56 |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
|
TCMBANKIN016480 |
Melafolone |
melafolone; AC1NSXWY; [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 2-methylbutanoate; LMPK12120357 |
C22H24O7 |
400.42 |
CCC(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC |
|
TCMBANKIN016484 |
isorhamnetin3-O-D-glucopyranoside_qt |
|
|
318.3 |
|
|
TCMBANKIN016492 |
anomalin |
|
C24H26O7 |
426.46 |
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C |
|
TCMBANKIN016519 |
Eupatoriopicrin |
LS-71189; Germacra-1(10),4,11(13)-trien-12-oic acid, 6-beta,8-alpha-dihydroxy-, 12,6-lactone,4-hydroxy-2-(hydroxymethyl)crotonate; C20H26O6; eupatoriopicrin |
C20H26O6 |
362.4 g/mol |
CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2 |
|
TCMBANKIN016536 |
trans-(tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-5-oxofuran-3-yl)methylbenzoate |
trans-(tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-5-oxofuran-3-yl)methyl benzoate |
|
342.37 |
|
|
TCMBANKIN016546 |
(2S)-2-myristyloxirane |
(2S)-2-tetradecyloxirane |
C16H32O |
240.42 |
|
|
TCMBANKIN016557 |
lutidine |
alpha,alpha'-Lutidine; AC-907/25014177; AI3-24282; .alpha.,.alpha.'-Dimethylpyridine; 2,6-Dimethypyridine; HSDB 79; 04991_FLUKA; CHEBI:32548; NSC2155; L3900_SIAL; 108-48-5; alpha,alpha'-Dimethylpyridine; .alpha.,.alpha.'-Lutidine; ZINC00967330; 336106_ALDRICH; FEMA No. 3540; W354007_ALDRICH; InChI=1/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H; 2,6-Dimethylpyridine; 2,6-Lutidine; Pyridine, 2,6-dimethyl-; NSC 2155; EINECS 203-587-3 |
C7H9N |
107.15 |
CC1=NC(=CC=C1)C |
|
TCMBANKIN016579 |
pseudocoptisine |
|
C19H14NO4+ |
320.3 g/mol |
C1C[N+]2=CC3=CC4=C(C=C3C=C2C5=CC6=C(C=C51)OCO6)OCO4 |
|
TCMBANKIN016580 |
1-[4-(1-methyl-2-propenyl) phenyl]-ethanone |
|
C12H14O |
174.24 g/mol |
CC(C=C)C1=CC=C(C=C1)C(=O)C |
|
TCMBANKIN016616 |
4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol |
4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol |
|
376.44 |
|
|
TCMBANKIN016628 |
Glyasperins M |
|
|
368.41 |
|
|
TCMBANKIN016630 |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran; ZINC02018445 |
C10H18O |
154.25 |
|
|
TCMBANKIN016664 |
d-Pinoresinol |
|
|
358.42 |
|
|
TCMBANKIN016694 |
gentianine |
AKOS005266580; Gentianine; ZINC1530467; MCULE-3837896278; 439-89-4; NSC606848; 4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone; BB_NC-0759; 5-vinyl-3-hydro-4H-pyrano[3,4-c]pyridin-1-one; 1H-Pyrano(3,4-c)pyridin-1-one, 5-ethenyl-3,4-dihydro- (9CI); 4-27-00-02817 (Beilstein Handbook Reference); Gencianina; Bio-0278; Q-100479; C2PD310UXB; 1H-Pyrano[3,4-c]pyridin-1-one, 5-ethenyl-3,4-dihydro-; 5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; Erythricine; FCH842303; ZINC01530467; From Schultesia guianensis malme (Mata-Zombando); C06525; 5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; UNII-C2PD310UXB; 5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; 5-vinyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; ST023290; CHEBI:28981; NSC-606848; W1062; 1H-Pyrano[3,4-c]pyridin-1-one,5-ethenyl-3,4-dihydro-; 4-(2-Hydroxyethyl)-5-vinylnicotinic lactone; MolPort-002-507-225; SCHEMBL2216852; AC1L74P3 |
C10H9NO2 |
175.18 g/mol |
C=CC1=CN=CC2=C1CCOC2=O |
|
TCMBANKIN016705 |
WLN: L66J BQ DQ |
EINECS 205-079-7; 70650_FLUKA; 1,3-DIHYDROXYNAPHTHALENE; AIDS-154849; Naphthoresorcinol; CCRIS 7896; 1,3-Naphthalenediol (8CI,9CI); BRN 2044002; AIDS154849; Naphthoresoucinol; AI3-08780; NSC115890; ZINC00155677; 1,3-Naphthalenediol; N6250_SIGMA; 132-86-5; 4-06-00-06543 (Beilstein Handbook Reference); NSC 115890; 3-Hydroxybenzocyclohexadien-1-one; ST5406572; Naphthalene-1,3-diol |
C10H8O2 |
160.17 |
C1=CC=C2C(=C1)C=C(C=C2O)O |
|
TCMBANKIN016709 |
dysoanthraquinone |
Dysoanthraquinone |
C18H14O7 |
342.3 |
|
|
TCMBANKIN016721 |
phorbol diester |
|
|
|
CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C |
|
TCMBANKIN016732 |
Albafuran A |
Albafuran; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol; 1,3-Benzenediol, 4-((2E)-3,7-dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-; AC1NQYBF; C08732; D0E1ZS; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol; albafuran a; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 84323-14-8; CHEMBL564896; CHEBI:2543; 2-[3,5-Dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxybenzofuran-2-yl)resorcinol; 4-(3,7-dimethylocta-2,6-dien-1-yl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)resorcinol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol; 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; BDBM50303002; 4-(3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI |
C24H26O4 |
378.46 |
CC(=CCCC(=CCC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O)C)C |
|
TCMBANKIN016749 |
2,3-Dimethylheptane |
MFCD00048819; D1203; ANW-26968; 2,3-Dimethylheptane, 98%; WBRFDUJXCLCKPX-UHFFFAOYSA-N; 2,3-Dimethyl heptane; LMFA11000611; ACM3074713; CTK1C4627; 2,3-DIMETHYLHHEPTANE; Heptane, 2,3-dimethyl-; 2,3-dimethylheptane; I14-48028; KB-16994; 3074-71-3; WBRFDUJXCLCKPX-UHFFFAOYSA-; FR-2239; FT-0609714; DB-080949; InChI=1/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3; ACMC-209hii; AKOS015841812; TR-013180; AC1L1B06; C-53677; FCH1115667; J-018096 |
C9H20 |
128.26 |
CCCCC(C)C(C)C |
|
TCMBANKIN016750 |
bicyclo[6. 1. 0]non-1-ene |
|
C9H14 |
122.21 g/mol |
C1CCC=C2CC2CC1 |
|
TCMBANKIN016793 |
Inermine |
C10502; (-)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis)-; ST077155; 2035-15-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN016798 |
Capaurine |
capaurine; C09371; 13a-alpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol; 6H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)- (9CI); (-)-Capaurine; 478-14-8; 13aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); NSC 404532; l-Capaurine; 2,3,9,10-Tetramethoxy-13a-alpha-berbin-1-ol |
C21H25NO5 |
371.43 |
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
|
TCMBANKIN016810 |
(R)-2,6-dihydroxy-2-(4-hydroxybenzyl)-4-methoxybenzofuran-3(2H)-one |
|
|
302.3 |
|
|
TCMBANKIN016847 |
Sylvestrene |
499-03-6; 1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE; 1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-; 1-methyl-3-(1-methylethenyl)cyclohexene; 3-Isopropenyl-1-methylcyclohexene; m-Mentha-1,8-diene, (.+/-.)-; A23140; 1-methyl-3-prop-1-en-2-ylcyclohexene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-; AC1Q2A53; Carvestren; m-Mentha-1,8-diene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-; UXZIDIYMFIBDKT-UHFFFAOYSA-N; Carvestrene; sylvestrene; (+-)-Isosylvestrene; AC1L1V0T; 38738-60-2; 3-Isopropenyl-1-methyl-1-cyclohexene #; (+-)-m-Mentha-1,8-diene |
C10H16 |
136.23 |
CC1=CCCC(C1)C(=C)C |
|
TCMBANKIN016914 |
japonicine C |
|
|
534.65 |
|
|
TCMBANKIN016949 |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
362.37 |
|
|
TCMBANKIN016993 |
(1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone |
|
356.45 |
|
|
TCMBANKIN016994 |
Villosol |
LMPK12060064; villosol; 6a,12-Didehydrosumatrol; SCHEMBL419039; Villosolside_qt |
C16H26O9 |
362.37 |
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O |
|
TCMBANKIN017004 |
(6R)-6-butylcyclohepta-1,4-diene |
|
C11H18 |
150.26 |
|
|
TCMBANKIN017012 |
Dehydrocorydalmine |
DTXSID10218876; dehydrocorydalmine; CHEMBL1270747; 2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol; 3-HYDROXY-4,10,11-TRIMETHOXY-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM; Dibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-; CHEBI:70645; BDBM50328691; CHEMBL1618061; 6877-27-6; Dehydrocorydalmine Trifluoroacetate; AC1MJ1O8 |
C20H20NO4+ |
338.4 g/mol |
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC |
|
TCMBANKIN017034 |
1,7-Octadien-3-ol,3,7-dimethyl |
|
C10H18O |
154.25 |
CC(=C)CCCC(C)(C=C)O |
|
TCMBANKIN017038 |
p-tert-Butylthiophenol |
Benzenethiol, p-tert-butyl-; Benzenethiol, p-tert-butylthio-; EINECS 219-255-6; NSC57807; 4-06-00-03316 (Beilstein Handbook Reference); NSC229514; 4-tert-Butylthiophenol; NSC 57807; p-tert-Butylbenzenethiol; NSC26804; BRN 0606476; ST5409687; 4-tert-Butylbenzenethiol; Benzenethiol, 4-(1,1-dimethylethyl)-; p-tert-Butylphenyl mercaptan; NSC 26804; AI3-26176; 2396-68-1; Benzenethiol, 4-(1,1-dimethylethyl)- (9CI); 593656_ALDRICH; WLN: SHR DX1&1&1 |
C10H14S |
166.28 |
CC(C)(C)C1=CC=C(C=C1)S |
|
TCMBANKIN017076 |
76897_FLUKA |
(2R,4R)-pentane-2,4-diol; ZINC00388354; (R,R)-(−)-2,4-Pentanediol; 243175_ALDRICH |
C5H12O2 |
104.15 |
CC(CC(C)O)O |
|
TCMBANKIN017109 |
(R,E)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid |
|
|
416.46 |
|
|
TCMBANKIN017120 |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidino-pent-2-en-1-one |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidin-1-yl-pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(1-piperidyl)pent-2-en-1-one |
C17H23NO3 |
289.4 g/mol |
COC1=C(C=CC(=C1)CCC=CC(=O)N2CCCCC2)O |
|
TCMBANKIN017161 |
picraquassioside C_qt |
|
C28H38O14 |
598.59 |
|
|
TCMBANKIN017171 |
m-Tolyl carbinol |
NSC9397; (3-methylphenyl)methanol; c0241; C07216; InChI=1/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H; EINECS 209-595-3; ghl.PD_Mitscher_leg0.163; NSC 9397; 3-Methylbenzyl alcohol; ZINC00896729; Benzenemethanol, 3-methyl-; AI3-21575; 188212_ALDRICH; 587-03-1 |
C8H10O |
122.16 |
CC1=CC(=CC=C1)CO |
|
TCMBANKIN017180 |
tiglic acid |
NSC8999; trans-2,3-Dimethylacrylic acid; ST5307929; Tiglinic acid; alpha-Methylcrotonic acid, (E)-; trans-2-Methylcrotonic acid; EINECS 236-167-3; 2-methyl-2E-butenoic acid; 2-Butenoic acid, 2-methyl-, (E)-; alpha,beta-dimethyl acrylic acid; (E)-2-methylbut-2-enoate; 4-02-00-01552 (Beilstein Handbook Reference); A839954; alpha-methylcrotonic acid; EINECS 201-295-0; CHEBI:9592; Tiglinsaeure; C08279; (E)-2-Methylcrotonic acid; 2-Methyl-2-butenoic acid; 2-Butenoic acid, 2-methyl-; BRN 1236500; tiglicacid; trans-.alpha.,.beta.-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; NSC44235; 13201-46-2; (E)-2,3-Dimethylacrylic acid; 2-Methyl-2-butenoic acid, (E)-; FEMA No. 3599; (E)-2-Methylbut-2-enoic acid; Crotonic acid, 2-methyl-, (E)-; Cevadic acid; (2E)-2-methylbut-2-enoic acid; 89450_FLUKA; T35203_ALDRICH; 2-methylbut-2-enoic acid; 2,3-Dimethylacrylic acid, (E)-; AI3-36118; NSC 44235; 2-Butenoic acid, 2-methyl-, (E)- (9CI); (E)-2-methyl-2-Butenoate; 2-Butenoic acid, 2-methyl-, (2E)-; Tiglic acid; LMFA01020030; AC1ODZB2; trans-alpha,beta-Dimethylacrylic acid; W359904_ALDRICH; Crotonic acid, 2-methyl-; 80-59-1; trans-2-Methyl-2-butenoic acid; CHEBI:36432 |
C5H8O2 |
100.12 g/mol |
CC=C(C)C(=O)O |
|
TCMBANKIN017208 |
m-Tolualdehyde |
NSC 89859; C07209; EINECS 210-632-0; 3-Tolylaldehyde; ZINC00896722; 3-Methylbenzaldehyde; NSC1244; 89840_FLUKA; AI3-02278; T35505_ALDRICH; m-Tolyl aldehyde; W306802_ALDRICH; 620-23-5; NSC 1244; c0242; Benzaldehyde, 3-methyl-; InChI=1/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H; ST5213451; m-Methylbenzaldehyde; NSC89859; NCIOpen2_001577; m-tolualdehyde |
C8H8O |
120.15 |
CC1=CC(=CC=C1)C=O |
|
TCMBANKIN017274 |
Daturametelamdie A |
|
|
277.35 |
|
|
TCMBANKIN017300 |
Glycozolidal |
2,7-dimethoxy-9H-carbazole-3-carboxaldehyde; glycozolidal; 2,7-dimethoxy-9H-carbazole-3-carbaldehyde; 9H-Carbazole-3-carboxaldehyde, 2,7-dimethoxy-; AIDS342644; AIDS-342644 |
C15H13NO3 |
255.27 g/mol |
COC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)OC)C=O |
|
TCMBANKIN017306 |
()-Isopulegol |
ZINC01081211; 439053_ALDRICH; (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1S,3S,4R)-p-Menth-8-en-3-ol; 59765_FLUKA; (1S,2R,5S)-2-Isopropenyl-5-methylcyclohexanol; (1S,2R,5S)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-1-cyclohexanol |
C10H18O |
154.25 |
|
|
TCMBANKIN017356 |
2-methylquinolin-6-ol |
2-methyl-6-quinolinol; 6-Quinolinol, 2-methyl-; Oprea1_412249; 2-Methyl-6-hydroxyquinoline; 613-21-8; ZINC00158027 |
C10H9NO |
159.18 |
CC1=NC2=C(C=C1)C=C(C=C2)O |
|
TCMBANKIN017374 |
Isobutyl caproate |
FEMA No. 2202; W220205_ALDRICH; AI3-24254; W220213_ALDRICH; Hexanoic acid, 2-methylpropyl ester; 2-Methyl-1-propyl caproate; Isobutyl caproate (natural); hexanoic acid isobutyl ester; EINECS 203-332-6; 105-79-3; Isobutyl hexanoate; Hexanoic acid, isobutyl ester; 2-METHYLPROPYL HEXANOATE |
C10H20O2 |
172.26 |
CCCCCC(=O)OCC(C)C |
|
TCMBANKIN017396 |
scandoside_qt |
scandoside methyl ester_qt; Scandoside_qt; Scandoside methyl ester_qt; DEACETYLASPERULOSIDICACID_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN017443 |
3-(isoamylthio)prop-1-ene |
1-(allylthio)-3-methylbutane; 3-methyl-1-prop-2-enylsulfanylbutane; 1-allylsulfanyl-3-methyl-butane; 3-methyl-1-prop-2-enylsulfanyl-butane; Allyl (3-methylbutyl) sulfide; 3-(Isopentylsulfanyl)-1-propene |
C8H16S |
144.28 g/mol |
CC(C)CCSCC=C |
|
TCMBANKIN017447 |
2-Methylpentan-3-one |
04220_FLUKA; 2-METHYL-3-PENTANONE; InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H; EINECS 209-288-4; 108707_ALDRICH; 3-Pentanone, 2-methyl-; 565-69-5; Ethyl isopropyl ketone; 04222_FLUKA |
C6H12O |
100.16 |
CCC(=O)C(C)C |
|
TCMBANKIN017452 |
isoamylcyclopentane |
3-methylbutylcyclopentane; isopentylcyclopentane; Cyclopentane, (3-methylbutyl)-; Cyclopentane, isopentyl- |
C10H20 |
140.27 |
CC(C)CCC1CCCC1 |
|
TCMBANKIN017488 |
trans-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN017499 |
()-Dihydrocarveol |
22567-21-1; (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol; (1S-(1alpha,2beta,5alpha))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol; (1S,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2S,5S)-5-isopropenyl-2-methyl-cyclohexan-1-ol; LMPR01020086; (1S,2S,5S)-5-isopropenyl-2-methyl-1-cyclohexanol; 37277_FLUKA; EINECS 245-085-7; (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; C11413; (1S,2S,4S)-Dihydrocarveol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN017538 |
2-(2,3,4-trihydroxyphenyl)acetonitrile |
2-(2,3,4-trihydroxyphenyl)ethanenitrile |
|
165.16 |
|
|
TCMBANKIN017577 |
pseudotropine |
ZB006875; tropinium; (1R,3R,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; CHEBI:57554; A807009; (3-endo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol; (3-exo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; CHEBI:57493; (1R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; A804485; pseudotropinium |
C8H15NO |
141.21 |
CN1C2CCC1CC(C2)O |
|
TCMBANKIN017590 |
wanepimedoside A |
|
C33H42O15 |
678.7 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CCC(C)(C)O)C5=CC=C(C=C5)OC)C)O)O)O)O)O |
|
TCMBANKIN017603 |
(1S,2S,5S)-2,5-dimethylcyclohexan-1-ol |
(1S,2S,5S)-2,5-dimethyl-1-cyclohexanol |
C8H16O |
128.21 |
|
|
TCMBANKIN017617 |
PAC |
Kyselina fenyloctova [Czech]; HSDB 5010; NSC 125718; STK297835; CHEBI:30745; AI3-08920; Benzeneacetiic acid; NCI60_000596; 103-82-2; 2-Phenylacetic acid; Acetic acid, phenyl-; Phenylacetic acid (natural); 2-Phenylethanoic acid; InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10; BRN 1099647; alpha-Toluic acid; NSC125718; Benzylformic acid; PHENYL-ACETIC ACID; Phenylacetic acid; FEMA No. 2878; P16621_ALDRICH; Phenylethanoic acid; .omega.-Phenylacetic acid; PAA; Benzylcarboxylic acid; .alpha.-Toluic acid; NCI60_002571; P6061_SIGMA; Benzenacetic acid; Phenyllacetic acid; AIDS-017618; Benzeneacetic acid; W287806_ALDRICH; 51146-16-8; 4-09-00-01614 (Beilstein Handbook Reference); C07086; W287814_ALDRICH; alpha-Tolylic acid; AIDS017618; NCGC00159477-02; EINECS 203-148-6; NSC139637 |
C8H8O2 |
136.15 |
C1=CC=C(C=C1)CC(=O)O |
|
TCMBANKIN017626 |
N-Methylvalerolactam |
1-Methyl-2-piperidone; EINECS 213-231-9; 1-Methyl-2-piperidinone; 2-Piperidone, 1-methyl-; NSC67384; AI3-11535; NSC 67384; N-Methyl-.delta.-valerolactam; 1-methylpiperidin-2-one; M73788_ALDRICH; InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H; N-Methyl-2-piperidinone; N-Methyl-2-piperidone; 5-21-06-00398 (Beilstein Handbook Reference); 68876_FLUKA; BRN 0001708; 931-20-4; 1-Methylpiperidine-2-one; 2-Piperidinone, 1-methyl- |
C6H11NO |
113.16 |
CN1CCCCC1=O |
|
TCMBANKIN017644 |
Furfuryl acetate |
InChI=1/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H; 166200_ALDRICH; furan-2-ylmethyl ethanoate; acetic acid 2-furylmethyl ester; Acetic acid furfuryl ester; ZINC00388413; 2-Furylcarbinyl acetate; 2-Furanmethanol, acetate; NCGC00091809-01; 5-17-03-00344 (Beilstein Handbook Reference); Acetic acid furfurylester; FEMA No. 2490; 623-17-6; EINECS 210-775-9; BRN 0116128; 2-Furfuryl acetate; furan-2-ylmethyl acetate; AI3-11016; Furfuryl alcohol, acetate; FURFURAL ACETATE; W249017_ALDRICH; 2-Acetoxymethylfuran; 2-Furanmethyl acetate; NSC5585; NSC 5585; W249009_ALDRICH; CCRIS 6242; 2-furylmethyl acetate |
C7H8O3 |
140.14 |
CC(=O)OCC1=CC=CO1 |
|
TCMBANKIN017759 |
Bianfugenine |
7H-Dibenzo(de,h)quinolin-7-one, 4,5,6,9-tetramethoxy-; 4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one; 88142-60-3; bianfugenine |
C20H17NO5 |
351.35 |
COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)OC)C2=O |
|
TCMBANKIN017774 |
(1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
|
C22H26O6 |
386.44 |
|
|
TCMBANKIN017783 |
Butyrophenone |
InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H; W504904_ALDRICH; 1-Phenyl-1-butanone; 1-phenylbutan-1-one; Propyl phenyl ketone; 495-40-9; 1-Butanone, 1-phenyl-; n-Butyrophenone; AI3-02062; 20770_FLUKA; ZINC01586755; NSC 8463; EINECS 207-799-7; 124338_ALDRICH; Phenyl propyl ketone; NSC8463 |
C10H12O |
148.2 |
CCCC(=O)C1=CC=CC=C1 |
|
TCMBANKIN017818 |
8-NONENOIC ACID |
LMFA01030028; 8-nonenoic acid; 8-nonenoicacid; non-8-enoic acid; 8-nonylenic acid; 31642-67-8 |
C9H16O2 |
156.22 |
C=CCCCCCCC(=O)O |
|
TCMBANKIN017870 |
Boschnialactone |
17957-87-8; boschnialactone; (4aR,7R,7aR)-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyran-3-one; C09772 |
C9H14O2 |
154.21 |
CC1CCC2C1COC(=O)C2 |
|
TCMBANKIN017871 |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]vinyl]acetamide |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]ethanamide; N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]acetamide |
|
384.42 |
|
|
TCMBANKIN017889 |
(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one |
ZINC00338038; (2R)-7-hydroxy-5-methoxy-2-phenyl-4-chromanone; (2R)-7-hydroxy-5-methoxy-2-phenyl-chroman-4-one |
C16H14O4 |
270.28 |
|
|
TCMBANKIN017942 |
[(E)-3-phenylprop-2-enyl] (Z)-3-phenylprop-2-enoate |
(Z)-3-phenylprop-2-enoic acid [(E)-3-phenylprop-2-enyl] ester; (Z)-3-phenylacrylic acid [(E)-3-phenylprop-2-enyl] ester |
C18H16O2 |
264.32 |
|
|
TCMBANKIN017963 |
Loureirin A |
loureirin a; 119425-89-7; MolPort-020-005-759; LMPK12120602; CHEMBL253779; CS-7883; RSAIVLRELNGZEY-UHFFFAOYSA-N; AC1NSXMO; BG01578740; 8165AH; FT-0715269; AKOS030573608; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-on; SCHEMBL7187176; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one; HY-N1505; AK608334; ZINC13341184 |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC |
|
TCMBANKIN017973 |
Butyl propionate |
AI3-24352; 4-02-00-00708 (Beilstein Handbook Reference); propionic acid butyl ester; FEMA No. 2211; BRN 1700932; Butyl propionate [UN1914] [Flammable liquid]; n-Butyl propanoate; propanoic acid butyl ester; Propionic acid, butyl ester; Butyl propanoate; Propanoic acid, butyl ester; 307378_ALDRICH; UN1914; NSC8449; n-Butyl propionate; EINECS 209-669-5; W221104_ALDRICH; ZINC01586746; Butyl propionate (natural); NSC 8449; InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H; 590-01-2 |
C7H14O2 |
130.18 |
CCCCOC(=O)CC |
|
TCMBANKIN017993 |
vitamin c |
D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 |
C6H8O6 |
176.12 |
C(C(C1C(=C(C(=O)O1)O)O)O)O |
|
TCMBANKIN018002 |
7,8,4'-Trihydroxyisoflavone |
NSC678112; 7,8-dihydroxy-3-(4-hydroxyphenyl)-4-chromenone; 4',7,8-Trihydroxyisoflavone; 75187-63-2; AIDS147839; 4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-; AIDS-147839; 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7,8-dihydroxy-3-(4-hydroxyphenyl)chromone; 7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O |
|
TCMBANKIN018022 |
Methyl formyl |
AI3-24137; 385395_ALDRICH; Acetaldehyde, dimethyl acetal; Dimethyl acetal; ZINC02034885; UN2377; W342602_ALDRICH; 3-Methyl-2,4-dioxapentane; 534-15-6; Dimethyl aldehyde; Ethylidene dimethyl ether; Ethane, dimethoxy-; FEMA No. 3426; EINECS 208-589-8; Acetaldehyde methyl acetal; 00120_FLUKA; HSDB 5427; Acetaldehyde dimethyl acetal; BRN 1697039; Ethane, 1,1-dimethoxy-; InChI=1/C4H10O2/c1-4(5-2)6-3/h4H,1-3H; ST5214518; 1,1-Dimethoxyethane [UN2377] [Flammable liquid]; 1,1-DIMETHOXYETHANE; Dimethylacetal; 25154-53-4 |
C4H10O2 |
90.12 |
CC(OC)OC |
|
TCMBANKIN018044 |
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione |
|
|
354.38 |
|
|
TCMBANKIN018089 |
m-Bis(m-phenoxyphenoxy)benzene |
1,3-bis[3-(phenoxy)phenoxy]benzene; 1,3-Bis(3-phenoxyphenoxy)benzene; NSC57094; Benzene, m-bis(m-phenoxyphenoxy)-; m,m,m-5 F4 E; 61332-25-0; 2455-71-2; NSC 57094; Benzene, 1,3-bis(3-phenoxyphenoxy)-; EINECS 219-530-0 |
C30H22O4 |
446.49 |
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC=C5 |
|
TCMBANKIN018093 |
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene |
|
|
348.42 |
|
|
TCMBANKIN018100 |
cis-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN018110 |
Methyl benzyl ether |
NSC 8058; Benzene, (methoxymethyl)-; .alpha.-Methoxytoluene; ST5410734; Ether, benzyl methyl (8CI); AI3-21993; Benzyl methyl ether; InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H; 476730_ALDRICH; (methoxymethyl)benzene; EINECS 208-705-7; NSC8058; FR-1351; ZINC01586379; alpha-Methoxytoluene; Ether, benzyl methyl; 538-86-3; METHOXYMETHYLBENZENE; methyl benzyl ether |
C8H10O |
122.16 |
COCC1=CC=CC=C1 |
|
TCMBANKIN018115 |
(3S)-3-methylcyclohexan-1-one |
ZINC03860607; (3S)-3-methyl-1-cyclohexanone |
C7H12O |
112.17 |
CC1CCCC(=O)C1 |
|
TCMBANKIN018145 |
1,2-propanediol,2-acetate |
|
C5H10O3 |
118.13 g/mol |
CC(CO)OC(=O)C |
|
TCMBANKIN018203 |
deacetylasperulosidic acid _qt |
deacetyl asperulosidic acid methyl ester_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN018234 |
Schizonepetoside D_qt |
|
|
168.26 |
|
|
TCMBANKIN018253 |
icarside E5_qt |
|
C26H34O11 |
522.54 |
|
|
TCMBANKIN018259 |
Felosan |
3-(Methylcarbamoyl)pyridine; N-methylpyridine-3-carboxamide; N-Methylnicotinamide; Nicotinamide, N-methyl- (8CI); ZINC00404444; N -Methyl nicotineamide; 3-Pyridinecarboxamide, N-methyl- (9CI); SR 4415; NSC66521; 3-Pyridinecarboxamide, N-methyl-; EINECS 204-046-4; 114-33-0; NSC 66521; N-Methyl-3-pyridinecarboxamide; Nicotinic acid methylamide; Nicotinamide, N-methyl-; 3-(N-Methylcarbamoyl)pyridine |
C7H8N2O |
136.15 |
CNC(=O)C1=CN=CC=C1 |
|
TCMBANKIN018264 |
trifohrhizin 6'-monoacetate |
|
|
484.54 |
|
|
TCMBANKIN018270 |
caohuoside B |
|
C45H56O23 |
964.9 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)O)O)OC(=O)C |
|
TCMBANKIN018281 |
hovenine A |
hovenine a; AC1NSWCZ; (Z)-N-[(5E,8E,10Z)-5,8-DIHYDROXY-3-ISOPROPYL-7-(2-METHYLPROPYL)-2-OXA-6,9-DIAZABICYCLO[10.2.2]HEXADECA-1(14),5,8,10,12,15-HEXAEN-4-YL]-3-METHYL-2-(METHYLAMINO)PENTANIMIDIC ACID; 3-methyl-2-(methylamino)-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide; N-Demethylfrangulanine; 3-methyl-2-(methylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide; Hovenine A |
C27H42N4O4 |
486.65 |
CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)NC |
|
TCMBANKIN018286 |
(2S)-3-methoxypropane-1,2-diol |
71484-94-1; 1,2-Propanediol, 3-methoxy-, (S)-; ZINC01866958 |
C4H10O3 |
106.12 |
COCC(CO)O |
|
TCMBANKIN018294 |
(R)-4-Methoxydalbergione |
2-methoxy-5-[(1R)-1-phenylprop-2-enyl]-1,4-benzoquinone; C10505; 2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione; 4646-86-0; 2-methoxy-5-[(1R)-1-phenylprop-2-enyl]-p-benzoquinone |
C16H14O3 |
254.28 |
COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2 |
|
TCMBANKIN018383 |
(1,2-DIMETHYLPROPYL)BENZENE |
|
C11H16 |
148.24 g/mol |
CC(C)C(C)C1=CC=CC=C1 |
|
TCMBANKIN018414 |
Aseanostatin P1 |
Tridecanoic acid, 12-methyl; CHEBI:43722; LMFA01020007; 12-methyl-tridecanoic acid; 12-methyltridecylic acid; 12-Methyltridecanoic acid; 2724-57-4; M7281_SIGMA; Tridecanoic acid, 12-methyl-; ISOMYRISTIC ACID; (+)-Isomyristic acid |
C14H28O2 |
228.37 |
CC(C)CCCCCCCCCCC(=O)O |
|
TCMBANKIN018434 |
Isoarcapillin |
5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxy-phenyl)-7-methoxy-chromen-4-one; isoarcapillin; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxychromen-4-one; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxy-phenyl)-7-methoxy-chromone; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxy-4-chromenone |
C18H16O8 |
360.31 |
COC1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O |
|
TCMBANKIN018438 |
acetic acid [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] ester |
acetic acid [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-4-keto-1-methoxy-7-methyl-8-bicyclo[3.2.1]oct-2-enyl] ester; [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] acetate; [(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate; [(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] ethanoate |
C23H28O6 |
400.46 |
|
|
TCMBANKIN018451 |
jionoside D_qt |
verbascoside_qt |
C30H50O |
426.72 |
|
|
TCMBANKIN018460 |
dihydrotanshinlactone |
|
|
266.31 |
|
|
TCMBANKIN018473 |
(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
|
312.34 |
|
|
TCMBANKIN018495 |
4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol |
4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol |
C22H26O8 |
418.44 |
|
|
TCMBANKIN018502 |
(S)-2-Ethylhexanoic acid |
InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10; 72377-05-0; (2S)-2-ethylhexanoic acid; Hexanoic acid, 2-ethyl-, (S)-; (+)-2-Ethylhexanoic acid; InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s |
C8H16O2 |
144.21 |
CCCCC(CC)C(=O)O |
|
TCMBANKIN018521 |
loroglossin_qt |
|
C34H46O18 |
742.72 |
|
|
TCMBANKIN018561 |
Wighteone |
AIDS071696; AIDS-071696; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; wighteone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; C10542; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-; 51225-30-0; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromone |
C20H18O5 |
338.35 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN018651 |
Tetrahydromagnolol |
tetrahydro-magnolol; 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol; DTXSID30415784; CHEMBL32362; magnolignan; D09209; AK558283; MolPort-044-561-199; CTK0J8666; 5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol; SCHEMBL662610; 2,2'-dihydroxy-5,5'-dipropyl-biphenyl; 20601-85-8; [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-; MLO; tetrahydromagnolol; AKOS030533113; 2-(2-hydroxy-5-propylphenyl)-4-propylphenol; BDBM50428092; ZINC29227697; AC1NT0WA |
C18H22O2 |
270.4 g/mol |
CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O |
|
TCMBANKIN018669 |
safranal |
EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde |
C10H14O |
150.22 |
CC1=C(C(CC=C1)(C)C)C=O |
|
TCMBANKIN018683 |
Dehydromevalonic lactone |
2,3-Anhydromevalonic acid; InChI=1/C6H8O2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H; 2381-87-5; 4-methyl-5,6-dihydro-2H-pyran-2-one; 4-methyl-5,6-dihydropyran-2-one; ghl.PD_Mitscher_leg0.315; 2H-pyran-2-one, 5,6-dihydro-4-methyl- |
C6H8O2 |
112.13 |
CC1=CC(=O)OCC1 |
|
TCMBANKIN018686 |
MBT |
SPBio_001851; SPECTRUM1504225; Ekagom G; Spectrum_001669; 55199-93-4; Mebithizol; Rotax; 1,3-Benzothiazole-2-thiol; Pennac MBT powder; Mercaptobenzothiazole; ST5308219; NCGC00091643-02; Pneumax MBT; Mercaptobenzothiazol; Kaptax; SpecPlus_000728; 119170-41-1; 12640-90-3; Kaptax [Czech]; 112242-83-8; 4464-58-8; KBioSS_002149; 2-Mercaptobenzothiazole (in liquid mixtures); KBio2_002149; KBio1_001768; 149-30-4; KBio2_007285; WLN: T56 BN DSJ CSH; Accelerator M; KBio3_002669; ST023801; C14437; ZINC00100105; Benzothiazole-2-thione; Caswell No. 541; NSC 2041; KBioGR_001216; EINECS 205-736-8; HSDB 4025; Nuodex 84; Rokon; Vulkacit Mercapto; ZINC00074832; Soxinol M; Accel M; Spectrum2_001666; Spectrum3_001665; Royal MBT; KBio2_004717; CCRIS 891; Spectrum5_001400; BSPBio_003449; NCGC00091643-05; Dermacid; Captax; Mercaptobenzthiazole; 2-Merkaptobenzthiazol [Czech]; AG 63; Usaf gy-3; EPA Pesticide Chemical Code 051701; 2-Mercptobenzothiazole; 2-Benzothiazolinethione; 2-MBT; AIDS019694; NCGC00091643-01; AI3-00985; NCI-C56519; 81605-65-4; c1019; DivK1c_006824; 63730_FLUKA; Benzothiazole, mercapto-; M3302_ALDRICH; 76154_FLUKA; Benzothiazole-2-thiol; Mertax; Benzothiazolethiol; 2-Mercaptobenzothiazole; Nuodeb 84; AIDS-019694; 3H-1,3-benzothiazole-2-thione; Vulkacit Mercapto/C; Thiotax; Kaptaks; Usaf xr-29; 2-Benzothiazolethiol; 2-Merkaptobenzotiazol [Polish]; Spectrum4_000628; NSC2041; Sulfadene; Vulkacit M; Mebetizole; 2-Benzothiazolyl mercaptan; 2(3H)-Benzothiazolethione; 2-Mercaptobenzthiazole; 63720_FLUKA; NCGC00091643-04; Mercaptobenzothiazole (VAN) |
C7H5NS2 |
167.25 |
C1=CC=C2C(=C1)NC(=S)S2 |
|
TCMBANKIN018694 |
Tremetone |
UVYUUQGGBNKRFU-UHFFFAOYSA-N; MEGxp0_001566; NCI60_001975; (.+/-.)-Tremeton; CHEMBL1985317; (.+/-.)-Tremetone; 2-Isopropenyl-5-acetyl-2,3-dihydrobenzofuran; 4976-25-4; AI3-44563; BRD-A14659197-001-01-5; 1-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone; Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)- (9CI); NSC 247531; Ethanone, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-; Ketone,3-dihydro-2-isopropenyl-5-benzofuranyl methyl; tremetone; InChI=1/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H; SCHEMBL4743840; 1-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone; NSC-247531; AC1L7VGH; NCGC00179737-01; ACon1_002193; 1-[(2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl]ethanone; NP-009515; Ketone, 2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl (8CI); NSC247531; C08992; Ethanone,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-, (R)- |
C13H14O2 |
202.25 |
CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C |
|
TCMBANKIN018701 |
(3S,3aR,8aR)-3,8a-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4-tetrahydroazulen-6-one |
(3S,3aR,8aR)-3,8a-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4-tetrahydroazulen-6-one |
C15H22O3 |
250.33 |
|
|
TCMBANKIN018731 |
Cyclobutanol, 1-ethyl- |
84256-19-9; 1-ethyl-1-cyclobutanol; 1-ethylcyclobutan-1-ol |
C6H12O |
100.16 g/mol |
CCC1(CCC1)O |
|
TCMBANKIN018774 |
Tuberosine A |
tuberosine a; (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acrylamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide |
C25H31NO10 |
505.51 |
COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN018779 |
kaempferol,3-o-b-d-glucuronide |
|
|
462.39 |
|
|
TCMBANKIN018789 |
eckol |
88798-74-7; CHEMBL471187; 1-(3,5-Dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin; 4-(3,5-dihydroxyphenoxy)-dibenzo(b,e)(1,4)dioxin-1,3,6,8-tetrol; D08MZY; Dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-; DTXSID40237333; ZINC6091359; 4-(3,5-dihydroxyphenoxy)oxanthrene-1,3,6,8-tetrol; AC1L3S7Z; BDBM50259982; CHEBI:65819; AIDS209851; Eckol; SCHEMBL2562621; Dibenzo(b,e)(1,4)-dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-; AIDS-209851; 4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol |
C18H12O9 |
372.28 |
C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)O)O |
|
TCMBANKIN018881 |
Triptinin B |
triptinin b |
C20H26O3 |
314.4 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O |
|
TCMBANKIN018897 |
DLE |
(2R)-2-amino-4-methyl-pentanoic acid; (R)-2-Amino-4-methylpentanoic acid; SBB006736; 61830_FLUKA; CHEBI:28225; D-Leucin; D-2-Amino-4-methylvaleric acid; D-Leucine; NCGC00163335-01; D-Leuzin; (2R)-2-amino-4-methyl-valeric acid; C01570; (2R)-2-amino-4-methylpentanoic acid; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9; 855448_ALDRICH; 328-38-1 |
C6H13NO2 |
131.17 |
CC(C)CC(C(=O)O)N |
|
TCMBANKIN018942 |
ACon1_001856 |
(1R,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; MEGxp0_001363 |
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN018972 |
troPane-3α |
6β-diol |
C8H15NO2 |
157.21 |
|
|
TCMBANKIN018986 |
(2R,3R,8R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-isopropenyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
(2R,3R,8R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-prop-1-en-2-yl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
|
354.38 |
|
|
TCMBANKIN019088 |
thalbaicalidine |
Thalbaicalidine |
C21H25NO5 |
371.43 |
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2O)OC)OC)OC)OC |
|
TCMBANKIN019101 |
(2R)-6-methylheptan-2-amine |
[(1R)-1,5-dimethylhexyl]amine |
C8H19N |
129.24 |
|
|
TCMBANKIN019107 |
trans-p-hydroxyphenylethanol-p-β-coumarate |
(E)-4-hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate; tarns-s-tans-p-hydroxy-phenylethanol-p-cinnamate |
|
284.33 |
|
|
TCMBANKIN019187 |
Tricyclo[4.3.1.12,5]undec-3-en-10-ol, 3-(1-methylethyl)-, (1R,2S,5S,6S,10R)-rel- |
|
|
206.36 |
|
|
TCMBANKIN019203 |
trans-Verbenol |
EINECS 217-335-5; 1820-09-3; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-; (1alpha,2alpha,5alpha)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; EINECS 243-407-0; (1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-; 18881-04-4; InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H; (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; AI3-23135; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-; 1S-cis-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-; ZINC01081109; 19890-02-9 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN019228 |
lithospermidin A |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 2-methylbutanoate; AC1NSXLW; lithospermidin a |
C21H24O7 |
388.41 |
CCC(C)C(=O)OC(C=CC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN019246 |
Rikacid SA |
tetrahydrofuran-2,5-dione; 2,5-dioxotetrahydrofuran; HSDB 792; Dihydro-2,5-furandione; InChI=1/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H; Succinyl oxide; CCRIS 2386; 2-Alkenyl (C11-C13) succinic acid anhydride; oxolane-2,5-dione; Bernsteinsaure-anhydrid [German]; 2,5-Diketotetrahydrofuran; 68412-02-2; 134414_ALDRICH; AIDS189607; AIDS-189607; dihydrofuran-2,5-dione; NCGC00091291-01; EINECS 270-161-1; Butanedioic anhydride; 239690_ALDRICH; 108-30-5; tetrahydrofuran-2,5-quinone; NSC 8518; Bernsteinsaeureanhydrid; Bernsteinsaure-anhydrid; ST5214397; CHEBI:36595; Dihydro-furan-2,5-dione; 2,5-Furandione, dihydro-, mono-C11-13-alkenyl derivs.; 2,5-Furandione, dihydro-; Succinic acid anhydride; Succinic anhydride; Succinic anhydride treated BSA; Tetrahydro-2,5-furandione; Succinyl anhydride; BUTANEDIOIC ACID,ANHYDRIDE SUCCINIC ANHYDRIDE; AI3-52664; Succinic anhydride treated bovine serum albumin; BRN 0108441; Tetrahydro-2,5-dioxofuran; NCI-C55696; NSC8518; EINECS 203-570-0; WLN: T5VOVTJ; 5-17-11-00006 (Beilstein Handbook Reference) |
C4H4O3 |
100.07 |
C1CC(=O)OC1=O |
|
TCMBANKIN019258 |
(2R,3R,10S)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[6,5-h]chromen-8-one |
|
C24H20O9 |
452.41 |
|
|
TCMBANKIN019259 |
Neric acid |
C16461; 3,7-dimethylocta-2,6-dienoate; 2,6-Octadienoic acid, 3,7-dimethyl-; W412101_ALDRICH; Nerolic acid; WLN: QV1UY1&3UY1&1; 48813_FLUKA; AIDS228053; SMR000112472; NSC229335; 3,7-Dimethylocta-2,6-dienoic acid; 459-80-3; EINECS 207-299-9; NSC 229335; (2E)-3,7-dimethylocta-2,6-dienoic acid; 2,6-Octadienoic acid, 3,7-dimethyl-, (2E)-; 4698-08-2; 3-02-00-01469 (Beilstein Handbook Reference); Decaprenoic acid; Geranic acid; MLS000516004; 3,7-Dimethyl-2,6-octadienoic acid; 427764_ALDRICH; 3,7-Dimethyl-2,6(and 2,7)-octadienoic acid; AIDS-228053; AI3-12136; BRN 1763804 |
C10H15O2- |
167.22 g/mol |
CC(=CCCC(=CC(=O)[O-])C)C |
|
TCMBANKIN019273 |
2,3,4-Trihydroxy-benzenepropanoic acid |
2,3,4-trihydroxy-benzenepropanoic acid; 3-(2,3,4-trihydroxyphenyl)propanoic acid; 3-(2,3,4-trihydroxyphenyl)propionic acid; 2,3,4-trihydroxy-benzenepropanoicacid |
C9H10O5 |
198.19 |
C1=CC(=C(C(=C1CCC(=O)O)O)O)O |
|
TCMBANKIN019306 |
Isoprenol |
Isopropenylethyl alcohol; 3-Methylbut-3-en-1-ol; 129402_ALDRICH; Methallyl carbinol; EINECS 212-110-8; Isobutenylcarbinol; NSC122673; NSC 122673; 66095_FLUKA; 3-METHYL-3-BUTEN-1-OL; 763-32-6; 3-Buten-1-ol, 3-methyl-; 2-Methyl-1-buten-4-ol; W519308_ALDRICH; 3-Isopentenyl alcohol; ZINC01712065; Methallylcarbinol |
C5H10O |
86.13 |
CC(=C)CCO |
|
TCMBANKIN019348 |
3β-acetoxy-16β-hydroxydammar-24-ene |
|
|
534.86 |
|
|
TCMBANKIN019367 |
schizonodiol |
Schizonodiol; (4S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one; AC1NT0A0 |
C10H16O3 |
184.23 |
CC1CC(=O)C(=CC1O)C(C)(C)O |
|
TCMBANKIN019375 |
(2R,3S)-3-hydroxy-2-methylbutanoic acid |
(2R,3S)-3-hydroxy-2-methyl-butyric acid; (2R,3S)-3-hydroxy-2-methyl-butanoic acid |
C5H10O3 |
118.13 |
CC(C(C)O)C(=O)O |
|
TCMBANKIN019380 |
baohuoside Ⅵ |
|
822.89 |
6.056086 |
|
|
TCMBANKIN019439 |
(2S)-heptane-1,2-diol |
|
C7H16O2 |
132.2 |
|
|
TCMBANKIN019480 |
[(1R)-1-methoxyethyl]benzene |
|
|
136.21 |
|
|
TCMBANKIN019509 |
(3S)-3,7-dimethyloct-6-enoic acid |
(S)-(−)-3,7-Dimethyl-6-octenoic acid; (S)-(−)-Citronellic acid; 364428_ALDRICH |
C10H18O2 |
170.25 |
CC(CCC=C(C)C)CC(=O)O |
|
TCMBANKIN019538 |
kosamol,r |
|
|
450.62 |
|
|
TCMBANKIN019543 |
2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] ester; acetic acid [1-[(1S)-5-keto-4-methyl-1-cyclohex-3-enyl]-1-methyl-ethyl] ester; 2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] acetate |
C12H18O3 |
210.27 |
|
|
TCMBANKIN019599 |
(2S,4S)-2,4-dimethyl-1,3-dioxane |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN019643 |
Sesibiricin |
|
C20H24O4 |
328.4 |
CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OCC=C(C)C)OC)C |
|
TCMBANKIN019652 |
D-Phenylalanine |
EINECS 211-603-5; Spectrum4_000865; Spectrum5_001137; (2R)-2-amino-3-phenyl-propionic acid; 673-06-3; CHEBI:16998; (2R)-2-amino-3-phenylpropanoic acid; SPECTRUM1503391; KBio1_000453; C02265; KBio2_002205; 78030_FLUKA; KBio2_007341; (2R)-2-amino-3-phenyl-propanoic acid; NINDS_000453; Phenylalanine D-form; NCGC00163338-01; InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12; D-alpha-Amino-beta-phenylpropionic acid; SPBio_001436; CCRIS 6267; KBioSS_002205; IDI1_000453; Spectrum2_001558; NCI-C60195; NSC 25005; DivK1c_000453; (R)-2-Amino-3-phenylpropionic acid; P1751_SIGMA; Spectrum_001725; 10549-11-8; KBio2_004773; KBioGR_001529 |
C9H11NO2 |
165.19 |
C1=CC=C(C=C1)CC(C(=O)O)N |
|
TCMBANKIN019708 |
2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one_qt |
|
|
165.16 |
|
|
TCMBANKIN019717 |
(2R,4aS,6S,8aR)-2,6-dimethyldecalin |
(2R,4aS,6S,8aR)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
|
166.34 |
|
|
TCMBANKIN019741 |
49070_FLUKA |
(−)-Globulol |
C15H26O |
222.37 |
|
|
TCMBANKIN019771 |
Ethyl p-toluate |
p-Toluic acid, ethyl ester; 4-methylbenzoic acid ethyl ester; InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H; 94-08-6; EINECS 202-301-4; NSC24767; ZINC00164611; 172693_ALDRICH; Benzoic acid, 4-methyl-, ethyl ester; Ethyl 4-methylbenzoate; AI3-31106; ST5406825; Ethyl p-methylbenzoate; p-Toluic acid ethyl ester |
C10H12O2 |
164.2 g/mol |
CCOC(=O)C1=CC=C(C=C1)C |
|
TCMBANKIN019814 |
GLV |
Formylformic acid; 2-oxo carboxylic acids; 260150_ALDRICH; Glyoxylic acid (8CI); Formic acid, formyl-; CHEBI:16891; GLYOXALATE, GLYOXYLATE; EINECS 206-058-5; Glyoxylic acid solution; Glyoxalsaeure; CHEBI:35910; glyoxylic acid; 298-12-4; Kyselina glyoxylova [Czech]; Acetic acid, oxo-; HSDB 5559; NSC 27785; .alpha.-Ketoacetic acid; Oxoacetic acid; Glyoxylsaeure; Formic acid, formyl; oxaldehydic acid; G1134_SIGMA; Acetic acid, oxo- (9CI); CCRIS 1455; alpha-Ketoacetic acid; WLN: VHVQ; BRN 0741891; NSC27785; glyoxalate; Acetic acid, oxo; Oxalaldehydic acid; 2-oxo monocarboxylic acids; 4-03-00-01489 (Beilstein Handbook Reference); GLYOX; Glyoxalic acid; 2-Oxo acid; Oxoethanoic acid; 50711_FLUKA; C00048 |
C2H2O3 |
74.04 |
C(=O)C(=O)O |
|
TCMBANKIN019829 |
2,3,4-Trimethylpentane |
EINECS 209-292-6; NSC 24846; NSC24846; 4-01-00-00446 (Beilstein Handbook Reference); BRN 1696869; 257508_ALDRICH; 565-75-3; Pentane, 2,3,4-trimethyl-; 92613_FLUKA; FR-2238 |
C8H18 |
114.23 |
CC(C)C(C)C(C)C |
|
TCMBANKIN019842 |
Pratensein |
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 2284-31-3; C10520; 3'-hydroxybiochanin A; pratensein; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)- |
C16H12O6 |
300.26 |
COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
TCMBANKIN019860 |
1-Methyl-3-isopropoxy cyclohexane |
SCHEMBL8295326; 1-methyl-3-propan-2-yloxycyclohexane; 1-methyl-3-isopropoxy cyclohexane; AC1NSYGG |
C10H20O |
156.26 g/mol |
CC1CCCC(C1)OC(C)C |
|
TCMBANKIN019898 |
tangshenoside III_qt |
|
|
402.48 |
|
|
TCMBANKIN019917 |
1H-benzocycloheptene,2,4a,5,6,7,8,9,9a-octahydro-3,3,5-trimethyl-9-methylene-,(4aS-cis)- |
|
|
205.4 |
|
|
TCMBANKIN019920 |
1,4-diethyl-1,4-dimethyl-2,5-cyclohexadiene |
|
|
164.32 |
|
|
TCMBANKIN019935 |
PROPYL ISOVALERATE |
AI3-33613; 93692_FLUKA; ST5410799; Butanoic acid, 3-methyl-, propyl ester (9CI); Isovaleric acid, propyl ester; FEMA No. 2960; Propyl 3-methylbutyrate; Butanoic acid, 3-methyl-, propyl ester; Propyl isovalerianate; Propyl isovalerate (natural); Propyl 3-methylbutanoate; BRN 1747146; EINECS 209-148-2; 3-methylbutanoic acid propyl ester; Propyl isopentanoate; 557-00-6; 3-methylbutyric acid propyl ester |
C8H16O2 |
144.21 |
CCCOC(=O)CC(C)C |
|
TCMBANKIN019942 |
vitamin e |
vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher |
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN019953 |
lanceol |
|
C15H24O |
220.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)CO |
|
TCMBANKIN020005 |
Dehydrocrebanine |
6,7-Dihydro-9,10-dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline; 77784-22-6; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-9,10-dimethoxy-7-methyl-; dehydrocrebanine ; CCRIS 3812 |
C20H19NO4 |
337.37 |
CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3 |
|
TCMBANKIN020012 |
m-Anisidine |
CCRIS 5886; m-Methoxyaniline; 536-90-3; 4-13-00-00953 (Beilstein Handbook Reference); m-Aminoanisole; 3-Anisidine; AI3-52519; NSC7631; EINECS 208-651-4; InChI=1/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H; Benzenamine, 3-methoxy-; ST5213832; NCGC00091221-01; A88204_ALDRICH; 3-Methoxybenzenamine; BRN 0386119; NSC 7631; 3-Aminoanisole; m-Anisylamine; ZINC00157531; 1-Amino-3-methoxybenzene; 3-Methoxyaniline; (3-methoxyphenyl)amine; 10480_FLUKA |
C7H9NO |
123.15 |
COC1=CC=CC(=C1)N |
|
TCMBANKIN020033 |
(2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
6-(2,4-Dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one; 6-(2,4-Dihydroxy-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydro-furo[3,2-g]chromen-7-one; (2S)-6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one; InChI=1/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H; (2S)-6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 6-(2,4-dihydroxyphenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-; 6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
|
384.41 |
|
|
TCMBANKIN020063 |
BUTYL CROTONATE |
2-Butenoic acid, butyl ester; butyl (E)-2-butenoate; EINECS 230-742-2; Crotonic acid, butyl ester; Butyl 2-butenoate, (E); 2-Butenoic acid, butyl ester (9CI); Butyl 2-butenoate; (E)-but-2-enoic acid butyl ester; n-Butyl crotonate; 7299-91-4; butyl (E)-but-2-enoate |
C8H14O2 |
142.2 |
CCCCOC(=O)C=CC |
|
TCMBANKIN020102 |
(Z)-(1S,5R)-beta-pinen-10-yl-beta-vicianoside_qt |
(Z)-(1S,5R)-beta-Pinen-10-yl-beta-vicianoside_qt |
|
152.26 |
|
|
TCMBANKIN020119 |
Dihydrosanguinarine |
AIDS-106789; Dihydro Sanguinarine; ZINC895645; HY-N0902; 3586AH; ZB015056; Hydrosanguinarine; AIDS106789; dihydroavicine; CC-26826; UNII-3H1ZKG80F7; C20H15NO4; MolPort-039-139-629; AKOS030526138; AK546683; CHEMBL465678; FT-0667147; C05191; 3606-45-9; 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; AC1Q6ZQL; 3arv; 24-METHYL-5,7,18,20-TETRAOXA-24-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(2).0(1)?,(2)(1)]TETRACOSA-1,3,8,10,12,14(22),15,17(21)-OCTAENE; CS-3819; dihydrosanguinarine; 13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine; 13,14-Dihydrosanguinarine; SCHEMBL420383; C-23832; Ambap3606-45-9; 13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; DTXSID00189627; 3lle; 3as0; 3H1ZKG80F7; CHEBI:17209; (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine, 13,14-dihydro-13-methyl-; AC1L3XTP |
C20H15NO4 |
333.34 |
CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6 |
|
TCMBANKIN020202 |
1-(2-hydrazino-4-methyl-5-pyrimidinyl)ethanone |
1-(2-hydrazino-4-methyl-pyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methylpyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methyl-pyrimidin-5-yl)ethanone; 93584-03-3; NSC373985 |
C7H10N4O |
166.18 g/mol |
CC1=NC(=NC=C1C(=O)C)NN |
|
TCMBANKIN020210 |
Odhpca |
4-keto-1H-pyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid, 4-hydroxy-; EINECS 210-197-7; 4-oxo-1H-pyridine-3-carboxylic acid; IDI1_010722; MLS000085094; 4-Hydroxy-3-pyridinecarboxylic acid; 72676-96-1; 4-Oxo-1,4-dihydro-3-pyridinecarboxylic acid; Oprea1_654715; 609-70-1; EC-000.1401; IFLab1_005319; 4-Hydroxynicotinic acid; SMR000019640 |
C6H5NO3 |
139.11 |
C1=CNC=C(C1=O)C(=O)O |
|
TCMBANKIN020231 |
Dihydrocorynantheine |
Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (2S-(2alpha(E),3alpha,12balpha))-; 7729-22-8; Isocorynantheidine; Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3S,12bR)-; dihydrocorynantheine; Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3beta,16E,20beta)-; 3-Isocorynantheidine; UNII-2CB4G689XT; 2CB4G689XT; 17,18-Seco-3beta,20alpha-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)- |
C22H28N2O3 |
368.47 |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN020235 |
2,3,5-Trimethylcyclopent-en-1-one |
|
|
124.2 |
|
|
TCMBANKIN020238 |
4',5,7-trihydroxy-6,8-dimethyl-homoisoflavanone |
|
|
314.36 |
|
|
TCMBANKIN020255 |
VINYLBUTYRATE |
ZINC00404766; Vinylester kyseliny maselne [Czech]; butanoic acid vinyl ester; InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H; Butanoic acid, ethenyl ester (9CI); AI3-24888; Butanoic acid, ethenyl ester; Vinyl butyrate; Vinyl butyrate, inhibited [UN2838] [Flammable liquid]; EINECS 204-609-4; WLN: 3VO1U1; butyric acid vinyl ester; BRN 1744933; NSC 5280; NSC5280; ethenyl butanoate; 4-02-00-00792 (Beilstein Handbook Reference); UN2838; 123-20-6; 19390_FLUKA; Vinyl butanoate; Butyric acid, vinyl ester |
C6H10O2 |
114.14 |
CCCC(=O)OC=C |
|
TCMBANKIN020276 |
balnoaphonin |
|
|
356.4 |
|
|
TCMBANKIN020283 |
methyl 2-hydroxy-3,4-dimethoxybenzoate |
ODKFBQCYKKPNLJ-UHFFFAOYSA-N; 2-hydroxy-3,4-dimethoxy-benzoic acid methyl ester; methyl 2-hydroxy-3,4-dimethoxy-benzoate; 6395-23-9; methyl 2-hydroxy-3,4-dimethoxy benzoate; SCHEMBL1434290; 2-hydroxy-3,4-dimethoxybenzoic acid methyl ester; Methyl 2-hydroxy-3,4-dimethoxy benzoate; Methyl 3,4-dimethoxy-2-hydroxybenzoate; AC1NSYFM; 3,4-Dimethoxysalicylic acid methyl ester |
C10H12O5 |
212.2 |
COC1=C(C(=C(C=C1)C(=O)OC)O)OC |
|
TCMBANKIN020286 |
2',4'-dihydroxy-6'-methhoxychalcone |
|
C16H14O4 |
270.28 |
|
|
TCMBANKIN020294 |
Lupetazine |
106-58-1; D179302_ALDRICH; NSC41177; Piperazine, 1,4-dimethyl-; N,N'-Dimethylpiperazine; EINECS 203-412-0; Texacat DMP; NSC 41177; 1,4-Dimethylpiperazine; InChI=1/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H; CCRIS 6690 |
C6H14N2 |
114.19 |
CN1CCN(CC1)C |
|
TCMBANKIN020309 |
trans-p-mentha-1(7),8-diene |
499-97-8; 1-isopropenyl-4-methylenecyclohexane; p-Mentha-1(7),8-diene; 1-isopropenyl-4-methylene-cyclohexane; 1-methylidene-4-prop-1-en-2-yl-cyclohexane; Cyclohexane, 1-methylene-4-(1-methylethenyl)-; 1-Methylene-4-(1-methylvinyl)cyclohexane; 1-methylidene-4-prop-1-en-2-ylcyclohexane; EINECS 207-895-9 |
C10H16 |
136.23 |
CC(=C)C1CCC(=C)CC1 |
|
TCMBANKIN020336 |
[(2R)-pentan-2-yl]benzene |
[(1R)-1-methylbutyl]benzene |
C11H16 |
148.24 |
|
|
TCMBANKIN020346 |
indican_qt |
|
C14H17NO6 |
295.29 |
|
|
TCMBANKIN020348 |
Dimethyl malonate |
136441_ALDRICH; ZINC00388229; 63380_FLUKA; CCRIS 8981; PROPANEDIOIC ACID,DIMETHYL ESTER (MALONIC ACID,DIMETHYL ESTER); 241040_ALDRICH; EINECS 203-597-8; NSC620046; malonic acid dimethyl ester; InChI=1/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H; NCI60_005924; MALONIC ACID, DIMETHYL ESTER; Propanedioic acid, dimethyl ester; Dimethyl 1,3-propanedioate; Dimethyl propanedioate; propanedioic acid dimethyl ester; 108-59-8 |
C5H8O4 |
132.11 |
COC(=O)CC(=O)OC |
|
TCMBANKIN020367 |
Maleimide, 2-ethyl-3-methyl- |
3-ethyl-4-methylpyrrole-2,5-dione; 20189-42-8; 3-ethyl-4-methyl-3-pyrroline-2,5-quinone; 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl-; 3-ethyl-4-methyl-pyrrole-2,5-dione; 3-ETHYL-4-METHYL-1H-PYRROLE-2,5-DIONE |
C7H9NO2 |
139.15 |
CCC1=C(C(=O)NC1=O)C |
|
TCMBANKIN020391 |
2-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromone |
2-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-chromenone; 2-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one |
C25H26O6 |
422.47 |
|
|
TCMBANKIN020403 |
peonidin |
Peonin_qt; Paeonidin |
C16H13O6+ |
301.27 g/mol |
COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O |
|
TCMBANKIN020411 |
1-Hydroxy-2,3,4,5-tetramethoxyxanthone |
1-hydroxy-2,3,4,5-tetramethoxy-9-xanthenone; Xanthone, 1-hydroxy-2,3,4,5-tetramethoxy-; 1-hydroxy-2,3,4,5-tetramethoxy-xanthone; 1-hydroxy-2,3,4,5-tetramethoxyxanthone; 1-hydroxy-2,3,4,5-tetramethoxy-xanthen-9-one; 1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one |
C17H16O7 |
332.3 |
COC1=CC=CC2=C1OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC |
|
TCMBANKIN020412 |
artonin U |
|
C21H20O5 |
352.4 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C |
|
TCMBANKIN020448 |
Dihydrocubebin |
C10558; (+)-Dihydrocubebin; dihydrocubebin; CHEMBL1641904; (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-; 24563-03-9; ZINC6528354; CHEBI:70490; Dihydrocubebin, rel- |
C20H22O6 |
358.39 |
C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
|
TCMBANKIN020456 |
D-Homoproline |
(R)-()-2-Piperidinecarboxylic acid; (R)-pipecolic acid; (2R)-pipecolinic acid; CHEBI:41582; D-Pipecolinic acid; D-pipecolic acid; 268062_ALDRICH; (2R)-piperidine-2-carboxylic acid; (2R)-2-piperidinecarboxylic acid |
C6H11NO2 |
129.16 |
C1CCNC(C1)C(=O)O |
|
TCMBANKIN020506 |
Moracin D |
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol; 7-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol; 69120-07-6; 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol; InChI=1/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H; moracin d; AC1LD2Q7; CHEMBL463241; 7-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-5-ol, 9CI; 2H-1-benzopyran-5-ol, 7-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-; MoracinD; AKOS032962426; MolPort-039-338-369; 7-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-chromen-5-ol; BDBM50062362; ZINC14610053; SCHEMBL6822795; 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-chromen-5-ol |
C19H16O4 |
308.33 |
CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C |
|
TCMBANKIN020509 |
1,7- dihydroxy-3,5-dimethoxy xanthone |
|
C15H12O6 |
288.25 |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3OC)O)O |
|
TCMBANKIN020632 |
3-methyl-Cyclooctene |
|
C9H16 |
124.22 |
CC1CCCCCC=C1 |
|
TCMBANKIN020668 |
Indole-3-acetonitrile-6-O-beta-D-glucopyranoside |
2-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile; indole-3-acetonitrile-6-o-β-d-glucopyranoside; 2-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1H-indol-3-yl]acetonitrile; 2-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethanenitrile; 2-[6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1H-indol-3-yl]acetonitrile; 2-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-indol-3-yl]acetonitrile |
|
334.36 |
|
|
TCMBANKIN020693 |
Ginkgoic acid |
2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid; 22910-60-7; SDCCGMLS-0066799.P001; SPECTRUM1505247; Anacardic acid B; C10794; Spectrum5_000899; NCGC00095338-01; BSPBio_002625; Ginkgolic acid |
C22H34O3 |
346.5 |
CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
|
TCMBANKIN020714 |
RAM |
ALPHA-RHAMNOSE; 6-deoxy-alpha-L-mannopyranose; alpha-L-rhamnopyranose; (2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol; alpha-L-Rha; CHEBI:27907; alpha-L-Mannomethylose; alpha-6-Deoxy-L-mannose; ZINC03861280; CHEBI:27848; alpha-L-Rhamnose; C02476; RAA; alpha-L-rhamnosides; alpha-L-Rhamnoside; 6-deoxy-alpha-L-mannopyranoside; (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol; 10030-85-0 |
C6H14O6 |
182.17 g/mol |
CC(C(C(C(C=O)O)O)O)O.O |
|
TCMBANKIN020752 |
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN020770 |
Sym-m-xylenol |
3,5-Dimethyl phenol; NSC 9268; InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H; 3,5-Dimethylphenol solution; 3,5-Dimethylphenol; 3,5-Xylenol; EINECS 203-606-5; sym.-m-Xylenol; 442379_SUPELCO; NCGC00091574-01; 50356-23-5; 3,5-Dmp; AI3-01553; 5-Hydroxy-m-xylene; 108-68-9; ST5409867; HSDB 5385; NSC9268; WLN: QR C1 E1; 1,5-Dimethyl-3-hyperoxybenzene; Xylenol 200; 36717_RIEDEL; CHEBI:38572; Phenol, 3,5-dimethyl-; Benzene, 1,3-dimethyl-5-hydroxy-; ZINC01699887; 1,3,5-Xylenol; 1-Hydroxy-3,5-dimethylbenzene; CCRIS 724; 144134_ALDRICH |
C8H10O |
122.16 |
CC1=CC(=CC(=C1)O)C |
|
TCMBANKIN020779 |
eupatolitin |
Eupatolitin; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4-chromenone; Eupatoletin; 3,5,3',4'-tetrahydroxy-6,7-dimethoxyflavone; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; AC1NSVDG; MolPort-044-754-131; 3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone; 29536-44-5; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromone; DTXSID80183724; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one; LMPK12112994; CHEBI:81340; C17788; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromen-4-one |
C17H14O8 |
346.3 g/mol |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC |
|
TCMBANKIN020787 |
14-pentadecenoic acid |
pentadec-14-enoic acid; LMFA01030053 |
C15H28O2 |
240.38 |
C=CCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN020794 |
m-Picoline |
3-Picoline; m-Methylpyridine; NCGC00091447-01; .beta.-Picoline; beta-Picoline; 80230_FLUKA; 3-Mepy; HSDB 4254; NSC 18251; 3-Methyl pyridine; 236276_ALDRICH; Pyridine, 3-methyl-; NSC18251; CCRIS 1722; 82005-08-1; 3-Methylpyridine; AI3-24110; .beta.-Methylpyridine; InChI=1/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H; EINECS 203-636-9; 108-99-6; 61204-14-6; m-Picoline [UN2313] [Flammable liquid]; CHEBI:39922; NCIOpen2_004641; beta-Methylpyridine; P42053_ALDRICH; 3-Pyridylmethyl radical |
C6H7N |
93.13 |
CC1=CN=CC=C1 |
|
TCMBANKIN020800 |
1-hydroxy-2,3,5,7-tetramethoxyxanthone |
|
C17H16O7 |
332.3 g/mol |
COC1=CC2=C(C(=C1)OC)OC3=CC(=C(C(=C3C2=O)O)OC)OC |
|
TCMBANKIN020801 |
(2S,3R,3aR,7R,7aS)-7-allyl-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-2,3,7,7a-tetrahydrobenzofuran-6-one |
(2S,3R,3aR,7R,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one |
C21H24O6 |
372.41 |
|
|
TCMBANKIN020824 |
1,2-diethyl-3-methylcyclohexylamine |
|
|
169.35 |
|
|
TCMBANKIN020832 |
Dihydrobaicalin |
(2S)-5,6-Dihydroxy-7-(beta-D-glucurono pyranosyloxy)flavanone; dihydrobaicalin; BDBM50250625; CHEMBL467197 |
C21H20O11 |
448.4 g/mol |
C1C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=CC=C4 |
|
TCMBANKIN020854 |
2,3,4,6-tetramethylphenol |
EINECS 221-799-4; InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H; phenol, 2,3,4,6-tetramethyl-; 3238-38-8; 28449-98-1 |
C10H14O |
150.22 |
CC1=CC(=C(C(=C1C)C)O)C |
|
TCMBANKIN020906 |
p-Ethylphenetole |
Benzene, 1-ethoxy-4-ethyl-; 1-Ethoxy-4-ethylbenzene; 1-ethoxy-4-ethyl-benzene; EINECS 216-438-2; 1585-06-4 |
C10H14O |
150.22 |
CCC1=CC=C(C=C1)OCC |
|
TCMBANKIN020909 |
1Ph5SHTetrazol |
1-phenyl-2H-1,2,3,4-tetrazole-5-thione; 122546-70-7; SBB007594; WLN: T5NNNNJ AR& ESH; AIDS-009169; NSC 24018; 69829-89-6; 2-Tetrazoline-5-thione, 1-phenyl-; Mercaptophenyltetrazole; Phenylmercaptotetrazole; 1437-66-7; C15415; 1-Phenyltetrazoline-5-thione; EINECS 201-710-5; 86-93-1; NSC24018; 1-phenyl-2H-tetrazole-5-thione; 5-Mercapto-1-phenyltetrazol; FR-0256; ZINC00061047; 78820_FLUKA; 53741-94-9; 1-Phenyl-5-tetrazolethione; 1-Phenyl-5-mercapto-1,2,3,4-tetrazole; 1-Phenyltetrazole-5-thiol; P3316_SIGMA; NSC44916; ZINC00388431; 1-Phenyl-1H-tetrazole-5-thiol; 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-; NSC67819; 5-Mercapto-1-phenyltetrazole; AIDS009169; 169897_ALDRICH; 5-Mercapto-1-phenyl-1H-tetrazole; 1H-Tetrazole-5-thiol, 1-phenyl-; 1-PHENYL-5-MERCAPTO-TETRAZOL; 1-Phenyltetrazole-thiol; 1-Phenyl-5-mercaptotetrazole |
C7H6N4S |
178.21 |
C1=CC=C(C=C1)N2C(=S)N=NN2 |
|
TCMBANKIN020918 |
(1R,5R)-6,6-dimethyl-2-methylene-3-norpinanone |
(1R,5R)-6,6-dimethyl-2-methylene-norpinan-3-one; (1R,5R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-one; (1R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one |
C10H14O |
150.22 |
|
|
TCMBANKIN020924 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromone |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2R,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-4-chromenone |
C20H18O11 |
434.35 |
|
|
TCMBANKIN020933 |
Physovenine |
physovenine; H67Q5553UW; CHEMBL205231; (-)-Physovenine; (3aS)-3aalpha,8-Dimethyl-5-(methylcarbamoyloxy)-3,3a,8,8aalpha-tetrahydro-2H-furo[2,3-b]indole; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] ester; C09232; AC1L9C9Q; SCHEMBL1666015; 2H-Furo(2,3-b)indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aS-cis)-; (3AS,8AS)-3A,8-DIMETHYL-2H,3H,8AH-FURO[2,3-B]INDOL-5-YL N-METHYLCARBAMATE; [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate; CHEBI:8188; UNII-H67Q5553UW; 6091-05-0 |
C14H18N2O3 |
262.3 |
CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C |
|
TCMBANKIN020946 |
(3S)-3-methyl-2,3-dihydrofuran |
|
C5H8O |
84.12 |
CC1COC=C1 |
|
TCMBANKIN020949 |
papaverine |
Cepaverin; AOB5339; 58-74-2; MFCD00012745; ZINC00056555; NCI60_003183; Drapavel; DSSTox_RID_77939; NCI-C56359; Myobid; BB_NC-0726; H754; Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride; Papaverine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material; Dynovas; Artegodan; Papavarine chlorhydrate; DTXSID9025825; NCGC00094258-03; Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride; 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; Alapav; Papacon; AIDS000185; NSC35443 (HCL); SMR000058283; KBioGR_000914; Spasmo-Nit; Papavarine hydrochloride; HMS1569F08; 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-isoquinoline; DSSTox_CID_5825; Papaverine hydrochloride (JP17/USP); Pameion; NCGC00094258-06; BSPBio_002153; Chlorhydrate de papaverine [French]; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride (1:1); SBB080541; AIDS-000185; Oprea1_387689; 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline; I01-13837; Optenyl; CTK8G2272; Papaverine Hcl; WLN: T66 CNJ B1R CO1 DO1& HO1 IO1; Dispamil; Lopac0_000957; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; Isoquinoline,7-dimethoxy-1-veratryl-, hydrochloride; MLS000028497; KBio2_005607; Lapav; Ro-Papav; Papanerin-HCl [German]; Cardiospan; Tox21_110226_1; TNP00305; Pavnell; HMS1920F06; LP00957; Pavagrant; SR-01000003098-2; SDCCGMLS-0003037.P003; AC1L1LRO; 6,7,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride; 6,7-Dimethoxy-1-veratrylisoquinoline; Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl); TR-031684; Pavacot; Papaverine hydrochloride, United States Pharmacopeia (USP) Reference Standard; Paveron; Spectrum4_000467; Spectrum_000071; LS-267; SR-01000003098-11; Forpavin; Durapav; Cardoverina; Prestwick2_000583; Papaverine hydrochloride, powder; CCRIS 3804; 5-21-06-00182 (Beilstein Handbook Reference); Paverolan; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride; 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline; FT-0631269; ACon1_002094; NCGC00094258-04; EINECS 200-397-2; Papaverine; AC1Q3DLI; CHEMBL98123; Pavadel; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride; 58-74-2 (Parent); InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H; REGID_for_CID_6084; BBC/116; Dipav; NCGC00094258-01; P0016; SPBio_002645; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline; 6,7-Dimethoxy-1-veratrylisoquinoline hydrochloride; NCGC00261642-01; PubChem6305; Cerebid; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; Oprea1_810508; Vasal; Papanerin; P 3510; 23473EC6BQ; Pharmakon1600-01500459; C06533; Lopac-P-3510; Vaso-Pav; SCHEMBL121268; DivK1c_000321; Papaverina [Italian]; NSC136630; NSC 136630; KBio2_000471; Spectrum3_000537; MLS002222208; component of Copavin; 58-74-2 (FREE BASE ); Therapav; BG00717685; Prestwick1_000583; Pavacen; Copavin; AK-67336; Dilaves; PAP H; 4-[(6,7-dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene, chloride; UNII-23473EC6BQ; NCGC00015810-01; Papaversan; Tox21_500957; DSSTox_GSID_25825; Papaverine chlorohydrate; Papaverine hydrochloride [USAN:JAN]; EINECS 200-502-1; EU-0100957; Robaxapap; NCGC00094258-02; Papaverine hydrochloride [USP:JAN]; Papaverine, hydrochloride; Papaverine (hydrochloride); PAPAVERINE HYDROCHLORIDE; Prestwick0_000583; MEGxp0_001880; Delapav; D02218; Pavacap; BPBio1_000470; Ceraspan; AS-13262; NCGC00015810-03; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride; Papanerin-hcl; NCGC00015810-12; KB-146860; RS 47; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride; CAS-61-25-6; UOTMYNBWXDUBNX-UHFFFAOYSA-N; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride (1:1); Papaverin; ACon1_000238; KBio2_003039; Prestwick3_000583; Pavabid (TN); Papaverine monohydrochloride; WLN: T66 CNJ B1R CO1 DO1& HO1 IO1 &GH; NSC757256; Pavatest; Papaverinium chloride; SR-01000003098; ST077145; ST023301; Pavakey; NSC-35443; BRN 0312930; Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI); SR-01000003098-9; 61-25-6 (HCL); SPBio_001015; NSC35443; MLS001148655; BSPBio_000426; IDI1_000321; Spectrum2_000978; Pavased; SPECTRUM1500459; Papanerine; NSC-757256; NCGC00094258-05; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)-isoquinoline hydrochloride; KBioSS_000471; HY-18077A; Papaverine hydrochloride, European Pharmacopoeia (EP) Reference Standard; BG01663857; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinolinehydrochloride; S-M-R; 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; NINDS_000321; Papalease; Papaverine hydrochlorid; KBio3_001653; Pap-Kaps-150; MolPort-000-847-203; NCGC00015810-02; Isoquinoline, 6,7-dimethoxy-1-veratryl-; API0003748; CCG-40065; CS-5015; BAS 00674058; ARONIS23834; AKOS005111070; 61-25-6; NSC 35443; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene; C20H22ClNO4; 1-(3,7-dimethoxyisoquinoline hydrochloride; Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride (8CI); Tox21_110226; 6,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline; Spectrum5_001188; Opera_ID_1617; Prestwick_376; SR-01000003098-4; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; KBio1_000321 |
C20H21NO4 |
339.39 |
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
|
TCMBANKIN020987 |
Kampferol-3,4'-dimethyl ether |
NCIMech_000178; Flavone, 5,7-dihydroxy-3',4'-dimethoxy-; NSC128305; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one; Kampferol-3, 4'-dimethyl ether; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromone; 5,7-Dihydroxy-3',4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy- (9CI); 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-5,7-dihydroxy-; 5,7-Dihydroxy-3', 4'-dimethoxyflavone; Flavone, 5,7-dihydroxy-3',4'-dimethoxy- (8CI); 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4-chromenone; NSC 128305; Kaempferol 3,4'-dimethyl ether; NCI60_000644; AIDS126794; AIDS-126794; 4712-12-3 |
C17H14O6 |
314.29 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC |
|
TCMBANKIN020999 |
3-isopropyl-6-isobutyl-2,5-piperazinedione |
|
C11H20N2O2 |
212.29 |
|
|
TCMBANKIN021030 |
STOCK1N-08335 |
|
C20H23NO5 |
357.4 |
|
|
TCMBANKIN021034 |
Squamatic acid |
4-[(3-carboxy-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid; 569-36-8; CTK8J3847; SCHEMBL18621791; SMR001215956; MLS000563108; CHEMBL1730581; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid; HMS2268C12; 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylicacid1- ester; Squamatsaure; squamaticacid; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid; 4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-phenyl)carbonyloxy-2-hydroxy-3,6-dimethyl-benzoic acid; AC1NT0JM; squamatic acid |
C19H18O9 |
390.34 |
CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O |
|
TCMBANKIN021081 |
maoyancaosu |
|
C18H14O7 |
342.3 |
C1C(OC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C(C4=CC(=C(C=C4)O)O)O |
|
TCMBANKIN021086 |
krebiozen |
Creatinine (NF); C4255_SIAL; Spectrum_000429; Spectrum2_000764; AI3-15321; D03600; 1-Methylhydantoin-2-imide; DivK1c_000351; Spectrum3_001717; KBioGR_002415; AIDS166904; Creatinine standard solution; KBio1_000351; C00791; C3613_SIGMA; 2-Imino-N-methylhydantoin; SPECTRUM1600300; BB_NC-0783; nchembio.78-comp6; 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; NINDS_000351; KBio3_002554; InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8; NCGC00095762-01; 82016-55-5; C3488_SIGMA; 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one; 1-Methylglycocyamidine; 4H-Imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-; KBio2_006045; CREATININE; EINECS 200-466-7; 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one; KBioSS_000909; AIDS-166904; Spectrum4_001806; ZINC00967189; 2-Imino-1-methylimidazolidin-4-one; NSC13123; KBio2_003477; CHEBI:16737; 1-methyl-2-amino-imidazol-4-one; Creatinine (VAN) (8CI); NSC 13123; 2-imino-1-methyl-4-imidazolidinone; IDI1_000351; Spectrum5_000511; BSPBio_003334; 15231-31-9; Creatinine,heated; AO-840/40806907; SPBio_000808; SDCCGMLS-0066864.P001; 2-amino-1-methyl-5H-imidazol-4-one; 60-27-5; 45514-66-7; KBio2_000909 |
C4H7N3O |
113.12 |
CN1CC(=O)NC1=N |
|
TCMBANKIN021087 |
beta-Irone |
|
C14H22O |
206.32 |
CC1CCC(=C(C1(C)C)C=CC(=O)C)C |
|
TCMBANKIN021112 |
SKM |
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; C00493; HSDB 3537; CHEBI:16119; (3R,4S,5R)-(−)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; S5375_SIGMA; SMP1_000326; KBio2_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta)); KBio1_001528; (3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; SPBio_001555; SDCCGMLS-0066740.P001; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-; NSC 59257; SPECTRUM1502256; EINECS 205-334-2; KBio2_006848; Shikimic acid [3R-(3alpha,4alpha,5beta)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; L-Shikimic acid; InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s; NCGC00142601-01; KBioSS_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)- (9CI); SBB012371; (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid; Spectrum3_001541; (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))- (9CI); KBio2_004280; Spectrum2_001508; (3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid; (-)-Shikimic acid; BSPBio_002982; CCRIS 7681; 1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-; KBio3_002482; MEGxp0_001939; Spectrum5_000386; SpecPlus_000488; DHK; Spectrum4_001853; DivK1c_006584; [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid; Spectrum_001232; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid; SR-01000632403-1; KBioGR_002287; (-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; S-5181; (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID |
C7H10O5 |
174.15 |
CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br |
|
TCMBANKIN021122 |
sedanoic-acid |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN021165 |
(1R,2R)-2-dimethylamino-1-phenylpropan-1-ol |
(1R,2R)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN021167 |
Methylamine,N-(1-ethylpentylidene) |
|
C8H17N |
127.23 |
CCCCC(=NC)CC |
|
TCMBANKIN021171 |
dan-shexinkum d |
|
|
336.41 |
|
|
TCMBANKIN021214 |
suchilactone |
SCHEMBL15624884 |
C21H20O6 |
368.38 |
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
|
TCMBANKIN021220 |
4-amino-5-ethoxyimidazole |
|
|
127.17 |
|
|
TCMBANKIN021321 |
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone |
3-(3-ketobutyl)-2,4,4-trimethyl-cyclohex-2-en-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one; 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohex-2-enone |
C13H20O2 |
208.3 |
CC1=C(C(CCC1=O)(C)C)CCC(=O)C |
|
TCMBANKIN021329 |
(20S)12β,16β- trihydroxydammar-24-ene-3β-O-β-glucopyranoside |
|
|
638.98 |
|
|
TCMBANKIN021377 |
3-(2-furyl)-2-methyl-acrolein |
(E)-3-(2-furyl)-2-methyl-prop-2-enal; 3-furan-2-yl-2-methyl-prop-2-enal; 3-(2-furyl)-2-methylprop-2-enal; (E)-3-(2-furyl)-2-methyl-acrolein; (E)-3-furan-2-yl-2-methyl-prop-2-enal; (E)-3-(2-furyl)-2-methylprop-2-enal; (E)-3-furan-2-yl-2-methylprop-2-enal; 3-furan-2-yl-2-methylprop-2-enal; 3-(2-furyl)-2-methyl-prop-2-enal |
C8H8O2 |
136.15 |
|
|
TCMBANKIN021384 |
syringaresnol diglucoside_qt |
syringaresinol diglucoside_qt |
C34H46O18 |
742.72 |
|
|
TCMBANKIN021392 |
zingiberene |
CHEMBL479020; 495-60-3; 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (S-(R*,S*))-; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methylcyclohexa-1,3-diene; (5S)-5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene; (S-(R*,S*))-5-(1,5-Dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; AKOS015968402; Zingiberene; (5S)-2-Methyl-5-[(1R)-1,5-dimethyl-4-hexenyl]-1,3-cyclohexadiene; alpha-Zingiberene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; EINECS 207-804-2; LMPR01030039; ent-Zingiberene; ZINC44431718; (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; C09750; (5S)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; CHEBI:583099; (+)-zingiberene |
C15H24 |
204.35 g/mol |
CC1=CCC(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN021524 |
3R-hydroxy-butanoic acid |
CHEBI:17066; (-)-3-Hydroxy-n-butyric acid; Butyric acid, 3-hydroxy-, D-(-)-; (R)-(-)-beta-Hydroxybutyric acid; (3R)-3-hydroxybutanoic acid; (3R)-3-hydroxybutyric acid; (R)-3-; (R)-beta-Hydroxybutyric acid; C01089; LMFA01050243; (R)-(-)-3-Hydroxybutyric acid; EINECS 210-909-6; 54920_FLUKA; (-)-beta-Hydroxybutyrate, D-; (R)-beta-Hydroxybutanoic acid; Butanoic acid, 3-hydroxy-, (R)-; (-)-3-Hydroxybutyric acid |
C4H8O3 |
104.1 |
CC(CC(=O)O)O |
|
TCMBANKIN021536 |
(Z)-9-Pentadecenoic acid |
(E)-pentadec-9-enoic acid; 1903-03-3; 9-Pentadecenoic acid, (Z)- |
C26H46N8O10 |
630.69 |
CCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN021600 |
Clarkeanidine |
6H-Dibenzo(a,g)quinolizine-1,9-diol, 5,8,13,13a-tetrahydro-2,10-dimethoxy-, (S)-; (13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol; 99615-99-3 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CCN3C2CC4=C(C3)C(=C(C=C4)OC)O)C=C1)O |
|
TCMBANKIN021624 |
(1S,4R)-1,4-dimethyltetralin |
(1R,4S)-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene |
C12H16 |
160.26 |
CC1CCC(C2=CC=CC=C12)C |
|
TCMBANKIN021641 |
ganglioside |
|
C73H131N3O31 |
|
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O |
|
TCMBANKIN021655 |
Hystl |
295086_ALDRICH; LCB 150; POLYBUTADIENE; Nisso PB-GQ 3000; Pseudobutylene; 105521-92-4; 29717-41-7; Butene-2; Hystl B 300; 1735-76-8; Dienite X 644; 2-BUTENE; trans-1,2-Dimethylethylene; 3-01-00-00732 (Beilstein Handbook Reference); Isoprene C4 products; Nisso PB 100; 2-BUTENE, (E)-; CCRIS 8971; (E)-But-2-ene; 37325-15-8; 2-trans-Butene; Butylene-2; .beta.-Butene; Butarez 15; trans-Butene; 107-01-7; trans-2-Butene; 2-Butene, mixture of cis and trans; EINECS 203-452-9; 9003-17-2; CB 10; beta-trans-Butylene; 1,3-Butadiene, polymers; Hydrocarbons, C4-unsatd.; EINECS 273-307-2; 1,3-Butadiene, homopolymer; Atactic butadiene polymer; Dienite 556; Dienite X 555; Nisso PB 3000; 363359_ALDRICH; 624-64-6; 29717-42-8; Butadiene resin; Dienite 643; 2-Butene-trans; Butadiene homopolymer; Nisso PR 2000; XRDR-A-288; FCR 1261; Nisso BN 1000; Budium RK 622; Hystl B 3000; (E)-2-Butene; 51810-44-7; Butadiene polymer; Alfine; Low-boiling butene-2; BRN 1718755; Hystl B 1000; HSDB 1196; Pbc200; Quintol B 1000; Diene 35 NF; 68956-54-7; Butene, mixed -1- and -2- isomers; B 7; HSDB 180; Poly-1,3-butadiene; Butene, 2-; B 11; beta-Butylene; Polyoil 110; EINECS 210-855-3; Butadiene oligomer; FCR 126; Nisso PB-B 4000; S 820; Polyoil 130; XPDR-A 288; FCR 1261pd; HSDB 5723; but-2-ene; Hystl B 2000; 2-Butene, (2E)-; Dimethylethylene; Nisso PB 4000; B 3000 |
C4H8 |
56.11 |
C=CC=C |
|
TCMBANKIN021691 |
Labroda |
1-(2,4,6-trihydroxyphenyl)propan-1-one; 13907 R.P.; Chlonarin; Argobyl; Flopropion; Supazlun; Spectrum2_000954; NSC97909; KBio3_001498; IDI1_000482; Ephtanon; Labrodax; Ephtanon (TN); D01259; 3-08-00-03413 (Beilstein Handbook Reference); Flopropiona [INN-Spanish]; 2295-58-1; NCGC00094817-01; Flopropione (JP15); 13907 R. P.; RP 13907; BRN 2096799; NSC 97909; KBioSS_001043; Phloropropionone; KBio1_000482; Gasstenon; BSPBio_001998; Propiophloroglucine; PROPIOPHENONE, 2',4',6'-TRIHYDROXY-; NCGC00094817-02; SPBio_000948; NINDS_000482; Spectrum5_001471; Spectrum4_000391; 1-(2,4,6-Trihydroxyphenyl)-1-propanone; Ecapron; SPECTRUM1500629; Spectrum3_000579; KBio2_006179; Flopropionum [INN-Latin]; Propionylphloroglucinol; Phloropropiophenone; Flopropione; KBio2_003611; Spectrum_000563; AI3-36955; Supanate; Cospanon; Labrodax supanate; Flopropione [DCF:INN:JAN]; 2,4,6-Trihydroxypropiophenone; DivK1c_000482; KBioGR_000941; 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-; 2',4',6'-Trihydroxypropiophenone; KBio2_001043; EINECS 218-942-8 |
C9H10O4 |
182.17 |
CCC(=O)C1=C(C=C(C=C1O)O)O |
|
TCMBANKIN021706 |
ISOCYCLOCITRAL |
|
C20H32O2 |
304.5 g/mol |
CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C |
|
TCMBANKIN021718 |
cabraleadiol |
|
C30H52O3 |
460.73 |
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C |
|
TCMBANKIN021743 |
3,3-Dimethylcyclohexanol |
3,3-dimethyl-cyclohexanol |
C8H16O |
128.21 |
CC1(CCCC(C1)O)C |
|
TCMBANKIN021778 |
2,2-DIMETHYLPENTANE |
EINECS 209-680-5; Pentane, 2,2-dimethyl-; 590-35-2; FR-2131; InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H; 41060_FLUKA; 110671_ALDRICH |
C7H16 |
100.2 |
CCCC(C)(C)C |
|
TCMBANKIN021815 |
harpagide acetate_qt |
|
|
228.27 |
|
|
TCMBANKIN021872 |
3-isopropylidene-5-methylhexa-1,4-diene |
5-methyl-3-propan-2-ylidenehexa-1,4-diene; 3-isopropylidene-5-methyl-hexa-1,4-diene; 5-methyl-3-propan-2-ylidene-hexa-1,4-diene; 1,4-Hexadiene, 5-methyl-3-(1-methylethylidene)-; 5-Methyl-3-(1-methylethylidene)-1,4-hexadiene |
C10H16 |
136.23 g/mol |
CC(=CC(=C(C)C)C=C)C |
|
TCMBANKIN021891 |
q-Lure |
EINECS 248-136-1; Cue-lure; 4-(4-Acetoxyphenyl)-2-butanone; 4-(p-Hydroxyphenyl)-2-butanone acetate; BRN 1961620; Hydroxyphenylbutanone acetate, p-; 305782_ALDRICH; para-(2-Acetylethyl)phenyl acetate; W365203_ALDRICH; BB_NC-1329; AI3-31833; 4-(p-Hydroxyphenyl)-2-butanone, acetate; EINECS 222-682-0; 26952-37-4; ZINC01671375; FEMA No. 3652; 2-Butanone, 4-[4-(acetyloxy)phenyl]-; WLN: 1VOR D2V1; 4-(3-Oxobutyl)phenyl acetate; 4-(p-Acetoxyphenyl)-2-butanone; 2-Butanone, 4-(p-hydroxyphenyl)-, acetate; 3572-06-3; NSC39438; p-(3-Oxobutyl)phenyl acetate; 2-Butanone, 4-(4-(acetyloxy)phenyl)-; 4-(4-Acetyloxyphenyl)-2-butanone; Pherocon qff; acetic acid [4-(3-ketobutyl)phenyl] ester; acetic acid [4-(3-oxobutyl)phenyl] ester; NSC 39438; Acetate of 4-(hydroxyphenyl)-2-butanone; [4-(3-oxobutyl)phenyl] ethanoate; ENT-32833; [4-(3-oxobutyl)phenyl] acetate |
C12H14O3 |
206.24 g/mol |
CC(=O)CCC1=CC=C(C=C1)OC(=O)C |
|
TCMBANKIN021909 |
Evodiamide |
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylaminobenzamide; AC1Q5FLA; A813575; Benzamide, N-(2-(1H-indol-3-yl)ethyl)-N-methyl-2-(methylamino)-; N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylamino-benzamide; 116965-70-9; evodiamide; n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide; AC1L4OQR |
C19H21N3O |
307.39 |
CNC1=CC=CC=C1C(=O)N(C)CCC2=CNC3=CC=CC=C32 |
|
TCMBANKIN021928 |
3-methoxy-4-acetoxycinnamyl angelate |
[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
C17H20O5 |
304.34 g/mol |
CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN021929 |
(1S,2S,5S)-2-isopropyl-5-methyl-1-cyclohexanol |
(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol; ZINC02038603; (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol; (1S,2S,5S)-2-isopropyl-5-methyl-cyclohexan-1-ol |
C10H20O |
156.27 |
|
|
TCMBANKIN021960 |
Pisatin |
C10516; MEGxp0_001256; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR-cis)-; 469-01-2; pisatin |
C17H14O6 |
314.29 |
COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O |
|
TCMBANKIN021964 |
1-isobutyl-2,5-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN021965 |
baicalidine |
|
C21H23NO5 |
369.41 |
|
|
TCMBANKIN022046 |
3-O-Ethylascorbic acid |
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxyfuran-2(5H)-one; 3-O-Ethyl-L-ascorbic acid; 86404-04-8; CCRIS 7479; (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one |
C8H12O6 |
204.18 |
CCOC1=C(C(=O)OC1C(CO)O)O |
|
TCMBANKIN022057 |
podophyllotoxin |
Spectrum5_001368; AIDS002471; Spectrum2_000878; NCGC00022001-05; Prestwick0_000782; BPBio1_000974; RD4-6269; (-)-Podophyllotoxin; SPBio_002823; Spectrum_000199; AIDS-002471; BSPBio_002352; Podophyllotoxin 7; Podophyllinic acid lactone; Podophyllotoxin; KBio2_003247; Wartec; KBio2_000679; Warticon; UPCMLD-DP035:002; Condyline; NCGC00022001-09; DivK1c_000292; 1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one; Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone; Condylox; ST066914; 518-28-5; Condylox (TN); Podofilox (USAN); (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; CCRIS 565; Spectrum4_000592; SPBio_000955; Prestwick_1018; 81125_FLUKA; D05529; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-; BCBcMAP01_000165; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]; ND-1185; SDCCGMLS-0066888.P001; ZINC03861806; KBio2_005815; NCGC00022001-08; Podophyllotoxin (8CI); C10874; NCI60_001981; Podophyllotoxin (BAN); 858447_ALDRICH; SMR000059121; P4405_SIGMA; AI3-50456; Prestwick2_000782; EINECS 208-250-4; Prestwick1_000782; Prestwick3_000782; UPCMLD-DP035:001; NSC 24818; IDI1_000292; KBioGR_001084; B18-5C; KBio1_000292; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; NSC24818; Podofilox [USAN]; NINDS_000292; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; MLS000069495; HSDB 7238; BSPBio_000884; Mayapple isolate; SMP1_000243; Podofilox; KBioSS_000679 |
C22H22O8 |
414.41 |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
|
TCMBANKIN022126 |
(S)-p-Mentha-1,8-dien-7-al |
ST5308426; (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde; (S)-(−)-Perillaldehyde; ZINC01529472; (−)-Perillaaldehyde; W355704_ALDRICH; 218294_ALDRICH; (4S)-4-isopropenylcyclohexene-1-carbaldehyde; (4S)-4-isopropenyl-1-cyclohexenecarboxaldehyde; InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H; (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde; 77302_FLUKA |
C10H14O |
150.22 |
CC(=C)C1CCC(=CC1)C=O |
|
TCMBANKIN022132 |
Dihydrochelerythrine |
AIDS106788; 17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; AKOS032948894; AIDS-106788; 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; CTK5C8487; AC1Q703V; 1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; [1,3]Benzodioxolo[5,6-c]phenanthridine,12,13- dihydro-1,2-dimethoxy-12-methyl-; 3arw; CHEMBL400359; 3037AH; ZINC04716567; DTXSID70218913; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-; ZINC4716567; 4CN-2633; HY-N0903; AC1LABLI; dihydrochelerythrine; 3as1; 1,2-dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine; 12,13-Dihydrochelerythrine; 6880-91-7; MolPort-000-165-434; CS-3820; SCHEMBL3864468 |
C21H19NO4 |
349.38 |
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5 |
|
TCMBANKIN022181 |
(2R)-3-methylbutan-2-ol |
ZINC01696686; InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H |
C5H12O |
88.15 |
CC(C)C(C)O |
|
TCMBANKIN022199 |
(2R)-4-methoxy-2,5-dimethylfuran-3-one |
(2R)-4-methoxy-2,5-dimethyl-furan-3-one; (2R)-4-methoxy-2,5-dimethyl-3-furanone |
C7H10O3 |
142.15 |
|
|
TCMBANKIN022234 |
Dimethyl (methylenedi-4,1-phenylene)biscarbamate |
methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate; NSC215914; N-[4-[4-(carbomethoxyamino)benzyl]phenyl]carbamic acid methyl ester; Oprea1_599045; 7450-63-7; N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamic acid methyl ester; Carbamic acid, (methylenedi-4,1-phenylene)bis-, dimethyl ester |
C17H18N2O4 |
314.34 |
COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC |
|
TCMBANKIN022265 |
amaranthin_qt |
(E)-1-((E)-2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)indolinium-2-carboxylate_qt; gomphreninI_qt; gomphreninII_qt |
C30H34N2O19 |
726.59 |
|
|
TCMBANKIN022290 |
isocorybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)O |
|
TCMBANKIN022298 |
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromone |
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4-chromenone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one; 1486-66-4; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one |
C17H14O7 |
330.29 |
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O |
|
TCMBANKIN022324 |
1-propenyl-2-vinyl-4-methylcycloheptane |
|
|
178.35 |
|
|
TCMBANKIN022385 |
L-Folinic acid |
L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, (S)-; (S)-Leucovorin; (6S)-Folinic acid; CHEBI:15640; (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid; (6S)-5-Formyl-5,6,7,8-tetrahydrofolic acid; 121451-09-0; (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid; (6S)-5-formyltetrahydrofolate; 68538-85-2; [(6S)-5-formyl-5,6,7,8-tetrahydropteroyl]glutamate; L-Glutamic acid, N-(4-((((6S)-2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid; LFP 754; (2S)-2-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid; N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid; (2S)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; (6S)-5-HCO-H4folate; (6S)-Leucovorin |
C20H23N7O7 |
473.44 |
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
|
TCMBANKIN022392 |
(1S)-1-phenylethanamine |
(S)-alpha-Methylbenzenemethanamine; [(1S)-1-phenylethyl]amine; EINECS 220-098-0; 115568_ALDRICH; 77869_FLUKA; Benzenemethanamine, alpha-methyl-, (alphaS)-; L(-)-alpha-methylbenzylamine; 77870_FLUKA; (-)-alpha-phenethylamine; (alphaS)-alpha-methylbenzenemethanamine; CHEBI:35321; 137577-63-0; 2627-86-3; L-(-)-alpha-phenylethylamine; (S)-(−)-alpha-Methylbenzylamine; L-alpha-Methylbenzylamine; (S)-(-)-alpha-methylbenzylamine; L-(-)-1-phenylethylamine; (S)-(−)-1-Phenylethylamine |
C8H11N |
121.18 |
CC(C1=CC=CC=C1)N |
|
TCMBANKIN022402 |
Ibericin |
17526-17-9; 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione; 2-(ethoxymethyl)-1,3-dihydroxy-anthracene-9,10-dione; Anthraquinone, 2-(ethoxymethyl)-1,3-dihydroxy- (7CI,8CI); 2-Ethoxymethyl-1,3-dihydroxyanthraquinone; ANTHRAQUINONE, 1,3-DIHYDROXY-2-ETHOXYMETHYL-; BRN 2338041; 2-(ethoxymethyl)-1,3-dihydroxy-9,10-anthraquinone; 9,10-Anthracenedione, 2-(ethoxymethyl)-1,3-dihydroxy- (9CI); 2-(Ethoxymethyl)-1,3-dihydroxy-9,10-anthracenedione; 1,3-Dihydroxy-2-ethoxymethylanthraquinone; Lucidin ethyl ether; CCRIS 1643; ibericin |
C17H14O5 |
298.29 |
CCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
|
TCMBANKIN022408 |
ZINC04023242 |
(3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone; (3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione; (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione |
|
210.31 |
|
|
TCMBANKIN022410 |
isokurarinone |
LMPK12140464; Isokurarinone |
C26H30O6 |
438.51 |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C |
|
TCMBANKIN022475 |
4',5-dimethoxyquercetin |
|
|
330.31 |
|
|
TCMBANKIN022514 |
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde |
(3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde; (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde |
C14H16O2 |
216.28 |
|
|
TCMBANKIN022517 |
3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)propan-1-one |
3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethyl-6-chromenyl)propan-1-one; 3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)propan-1-one |
C20H20O5 |
340.4 g/mol |
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC(=C(C=C3)O)O)C |
|
TCMBANKIN022525 |
1,2-Dihydrocurcumin |
(4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-4,6-dien-3-one |
C21H22O6 |
370.4 g/mol |
COC1=C(C=CC(=C1)CCC(=O)C=C(C=CC2=CC(=C(C=C2)O)OC)O)O |
|
TCMBANKIN022528 |
2-methyl-5-(1-methylene)-1,3-cyclohexadiene |
|
|
106.18 |
|
|
TCMBANKIN022549 |
shinpterocarpin |
|
C20H18O4 |
322.35 |
CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C |
|
TCMBANKIN022566 |
Diosphenol |
SCHEMBL873797; C09854; EINECS 207-704-9; AC1L2WHG; AC1Q6D64; QSIMLPCPCXVYDD-UHFFFAOYSA-N; Buchu camphor; 1-p-menthen-2-ol-3-one; CTK8I8590; LMPR0102090061; Barosma camphor; AKOS022505068; 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-; DTXSID5052127; diosphenol; Buccocamphor; AN-21384; 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one #; 2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; 2-hydroxy-6-isopropyl-3-methyl-cyclohex-2-en-1-one; 2-Hydroxypiperitone; 490-03-9; CHEBI:4632; 2-Hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one |
C10H16O2 |
168.23 |
CC1=C(C(=O)C(CC1)C(C)C)O |
|
TCMBANKIN022607 |
butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate |
butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propanoate; butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]propanoate; 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propionic acid butyl ester; 3-[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]propanoic acid butyl ester |
|
414.5 |
|
|
TCMBANKIN022617 |
Xenognosin B |
CHEBI:17678; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromenone; 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chromone; 2'-Hydroxyformononetin; 2'-Hydroformononetin; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; C02920; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one; 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chromen-4-one; 1890-99-9; xenognosin b |
C16H12O5 |
284.26 |
COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN022652 |
p-Nitrosotoluene |
TOLUENE, p-NITROSO-; 4-05-00-00845 (Beilstein Handbook Reference); 623-11-0; 1-Methyl-4-nitrosobenzene; 1-methyl-4-nitroso-benzene; 4-Nitrosotoluene; p-Methylnitrosobenzene; BRN 1854613; Benzene, 1-methyl-4-nitroso-; EINECS 210-771-7; InChI=1/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H; 4-Methylnitrosobenzene |
C7H7NO |
121.14 |
CC1=CC=C(C=C1)N=O |
|
TCMBANKIN022677 |
Rhodinol (6CI) |
6812-78-8; EINECS 229-887-4; (3S)-3,7-dimethyloct-7-en-1-ol; ZINC02508248; 7-Octen-1-ol, 3,7-dimethyl-, (S)-; 7-Octen-1-ol, 3,7-dimethyl-, (3S)-; FEMA No. 2980; (S)-3,7-Dimethyl-7-octen-1-ol; Rhodinol (natural); W298018_ALDRICH |
C10H20O |
156.27 |
CC(CCCC(=C)C)CCO |
|
TCMBANKIN022725 |
1,7-Dimethoxynaphthalene |
ZINC00159511; ST5409760; 575585_ALDRICH; Naphthalene, 1,7-dimethoxy- (8CI)(9CI); Naphthalene, 1,7-dimethoxy-; NSC59835; NSC 59835; 5309-18-2; InChI=1/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H |
C12H12O2 |
188.22 |
COC1=CC2=C(C=CC=C2OC)C=C1 |
|
TCMBANKIN022728 |
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene |
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
|
300.38 |
|
|
TCMBANKIN022737 |
1,1-diethylpropylbenzene |
(1,1-DIETHYLPROPYL)BENZENE; 4170-84-7; Benzene, (1,1-diethylpropyl)-; 4170-07-4; 3-ethylpentan-3-ylbenzene |
C13H20 |
176.3 g/mol |
CCC(CC)(CC)C1=CC=CC=C1 |
|
TCMBANKIN022750 |
(2R)-2-methyloxolan-3-one |
(2R)-2-methyl-3-tetrahydrofuranone; (2R)-2-methyltetrahydrofuran-3-one; ZINC03880801 |
C5H8O2 |
100.12 |
|
|
TCMBANKIN022751 |
Lithospermidin B |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 3-methylbutanoate; AC1NSXLZ; 83415-79-6; lithospermidin b |
C21H24O7 |
388.4 g/mol |
CC(C)CC(=O)OC(C=CC(C)(C)O)C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O |
|
TCMBANKIN022760 |
erythrosyringoylglycerol 8-O-β-D-glucoside |
|
|
392.4 |
|
|
TCMBANKIN022794 |
hirsutasideB |
|
|
432.56 |
|
|
TCMBANKIN022801 |
3,4',5-Trihydroxy-7-methoxy-8-isopente-nylflavone |
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-4-chromenone |
C21H20O6 |
368.38 |
|
|
TCMBANKIN022811 |
Mulberrofuran N |
mulberrofuran n; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-6-benzofuranol; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol |
|
392.53 |
CC(=CCC1=C(C(=C(C=C1O)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C |
|
TCMBANKIN022832 |
Duartin |
101311-04-0; (3R)-3-(3-hydroxy-2,4-dimethoxy-phenyl)-8-methoxy-chroman-7-ol; 7,3'-Dihydroxy-2',4',8-trimethoxyisoflavan; KBio2_006426; KBioGR_001943; DivK1c_006984; KBioSS_001290; Spectrum4_001602; Spectrum_000810; KBio2_001290; SpecPlus_000888; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxychroman-7-ol; Spectrum5_000323; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-7-chromanol; KBio2_003858; KBio1_001928; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-, (R)- |
C18H20O6 |
332.35 |
COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O |
|
TCMBANKIN022858 |
(S)-tropic acid |
(2S)-3-hydroxy-2-phenyl-propionic acid; (2S)-3-hydroxy-2-phenyl-propanoic acid; (2S)-3-hydroxy-2-phenylpropanoic acid; CHEBI:30766 |
C9H10O3 |
166.17 |
C1=CC=C(C=C1)C(CO)C(=O)O |
|
TCMBANKIN022927 |
Evocarpine |
1-methyl-2-[(Z)-tridec-8-enyl]-4-quinolone; 11036-30-9; 1-METHYL-8-[(2E)-TRIDEC-2-EN-1-YL]QUINOLIN-4-ONE; 1-methyl-2-[(Z)-tridec-8-enyl]quinolin-4-one; AC1O6A4R; 1-methyl-2-[(Z)-tridec-8-enyl]-4-quinolinone; 1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one; evocarpine; SCHEMBL15942080 |
C23H33NO |
339.51 |
CCCCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
|
TCMBANKIN022933 |
[(2R)-2-[[[(2R)-2-(benzoylamino)-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate |
acetic acid [(2R)-2-[[[(2R)-1-oxo-2-[(oxo-phenylmethyl)amino]-3-phenylpropyl]amino]methyl]-3-phenylpropyl] ester; [(2R)-2-(phenylmethyl)-3-[[(2R)-3-phenyl-2-(phenylcarbonylamino)propanoyl]amino]propyl] ethanoate; acetic acid [(2R)-2-[[[(2R)-2-(benzoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenyl-propyl] ester; [(2R)-2-[[[(2R)-2-(benzoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenyl-propyl] acetate |
C35H46O19 |
770.73 |
|
|
TCMBANKIN022956 |
Cyclopropyl ketone |
Dicyclopropyl ketone; EINECS 214-331-5; NSC49148; AI3-37701; InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H; DICYCLOPROPYL-KETON; Dicyclopropylketone; NSC 49148; Methanone, dicyclopropyl- (9CI); ZINC01681235; 36720_FLUKA; Cyclopropyl ketone (8CI); Methanone, dicyclopropyl-; 126047_ALDRICH; 1121-37-5; dicyclopropylmethanone |
C7H10O |
110.15 |
C1CC1C(=O)C2CC2 |
|
TCMBANKIN022958 |
pontevedrine |
|
C21H19NO6 |
381.38 |
CN1C2=C3C(=CC(=C(C3=C4C=C(C(=CC4=C2)OC)OC)OC)OC)C(=O)C1=O |
|
TCMBANKIN022975 |
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-, (2E)- |
(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one; 5041-81-6; AIDS-004475; (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one; MEGxp0_001945; (E)-1-(2,4-dihydroxyphenyl)-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-en-1-one; AIDS004475; (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(.beta.-D-glucopyranosyloxy)phenyl]-, (2E)- |
C21H22O9 |
418.39 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN022980 |
caprylic acid |
Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 |
C8H16O2 |
144.21 g/mol |
CCCCCCCC(=O)O |
|
TCMBANKIN023022 |
Ocimenol |
(5E)-2,6-dimethylocta-5,7-dien-2-ol; EINECS 227-806-7; 5986-38-9; 5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-; ocimenol; 2,6-Dimethyl-5,7-octadien-2-ol |
C10H18O |
154.25 |
CC(=CCCC(C)(C)O)C=C |
|
TCMBANKIN023025 |
(13E,17E,21E)-polypodo-13,17,21-triene-3,18-diol |
|
|
444.82 |
|
|
TCMBANKIN023047 |
3-methylhexa-2,4-diene |
28823-42-9; (2E,4E)-3-methylhexa-2,4-diene; (4E)-3-methylhexa-2,4-diene; 2,4-Hexadiene, 3-methyl-; 3-Methyl-2,4-hexadiene |
C7H12 |
96.17 |
CC=CC(=CC)C |
|
TCMBANKIN023098 |
(2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one |
(2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one; ZINC04273377; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone |
|
518.56 |
|
|
TCMBANKIN023102 |
1,5,5,6-tetramethyl-1,3-Cyclohexadiene |
1,5,5,6-tetramethyl-1,3-cyclohexadiene |
C10H16 |
136.23 |
CC1C(=CC=CC1(C)C)C |
|
TCMBANKIN023115 |
Gingerenone B |
7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one; AC1NSVUH; (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; gingerenone b; (E)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one |
C22H26O6 |
386.44 |
COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN023120 |
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxynaphthalene-2-carbaldehyde |
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-naphthalene-2-carbaldehyde; 4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-2-naphthalenecarboxaldehyde |
|
338.38 |
|
|
TCMBANKIN023122 |
phellamurin_qt |
dihydro avonol glucoside phellamurin_qt |
C26H30O11 |
518.51 |
|
|
TCMBANKIN023152 |
(1S,4aS,6S,8aR)-1,6-dimethyldecalin |
(1S,4aS,6S,8aR)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
|
166.34 |
|
|
TCMBANKIN023169 |
cyclohexyl-dimethylsilane |
cyclohexyl-dimethyl-silane |
C8H18Si |
142.31 |
C[Si](C)C1CCCCC1 |
|
TCMBANKIN023174 |
Dihydrophelloside_qt |
|
C32H42O17 |
698.67 |
|
|
TCMBANKIN023309 |
himachalene |
Himachalene; 1H-Benzocycloheptene, 2, 4a, 5, 6, 7, 8-hexahydro-3, 5, 5, 9-tetramethyl-, (R)- |
C15H24 |
204.35 |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN023322 |
tectorigenin |
AK119808; 855130H9CO; KBio2_003809; Q-100619; K 251T; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; DivK1c_006241; SCHEMBL351641; KBio1_001185; I07-0272; 5-18-05-00311 (Beilstein Handbook Reference); ISOFLAVONE, 4',5,7-TRIHYDROXY-6-METHOXY-; GTPL9738; KBioSS_001241; NP-005651; AX8245224; CHEBI:9429; ZINC899915; LMPK12050385; Tectorigenine; BDBM50241222; 548T776; Spectrum_000761; AC1NQZ4T; 4',5',7-trihydroxy-6-methoxyisoflavone; BG01592771; 4CN-1307; 548-77-6; Tectorigenin; tectorigenin ; AN-45829; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; C10534; CS-0009804; 5,7,4'-Trihydroxy-6-methoxyisoflavone; DTXSID50203286; FT-0688353; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; SpecPlus_000145; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; KBio2_006377; MCULE-2089260732; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-; KBio2_001241; Y0198; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; AJ-24294; BRN 0305601; HY-N0792; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; MFCD00597094; MolPort-003-665-854; 4',5,7-Trihydroxy-6-methoxyisoflavone; LS-84477; Tectorigenin, analytical standard; AKOS015897084; N1647; CHEMBL242740; UNII-855130H9CO |
C16H12O6 |
300.26 |
COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN023327 |
LEN |
Leucamine; Monoisopentylamine; 107-85-7; .gamma.-Isoamylamine; Isopentylamine; NSC 7907; Propylamine, 3,3-dimethyl-; 3-Methylbutylamine; 126810_ALDRICH; 3-METHYLBUTAN-1-AMINE; 3,3-Dimethylpropylamine; AI3-24040; FEMA No. 3219; Monoisoamylamine; 1-Amino-3-methylbutane; Isovalerylamine; 59102_FLUKA; Butylamine, 3-methyl-; NSC7907; Isoamylamine; EINECS 203-526-0; 1-Aminoisopentane; W321907_ALDRICH; Isobutylcarbylamine; 1-Butanamine, 3-methyl-; InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H; 3-Methylbutanamine; gamma-Isoamylamine; C02640; 3-Methyl-1-butanamine |
C5H13N |
87.16 |
CC(C)CCN |
|
TCMBANKIN023346 |
Cedrene-V6 |
|
C15H24 |
204.35 g/mol |
CC1=C2CCC(C2CCC1(C)C)(C)C=C |
|
TCMBANKIN023350 |
Isolicoflavonol |
LMPK12111984; 94805-83-1; AIDS-060353; AIDS060353; CHEMBL457679; SR-01000765807; 5,7,4'-trihydroxy-3'-prenylflavonol; MLS000697735; BDBM50251003; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-; HMS2271L11; 9577AF; cid_5318585; SR-01000765807-2; 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromone; D0E5FV; AC1NSX1R; 4',5,7-Trihydroxy-3'-prenylflavonol; ZINC13130924; PGCKDCPTJAQQSQ-UHFFFAOYSA-N; MolPort-039-052-689; isolicoflavonol; BG01067669; SMR000470986; SCHEMBL5614138; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one |
C20H18O6 |
354.35 |
CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C |
|
TCMBANKIN023376 |
pinol |
|
C10H16O |
152.23 |
CC1=CCC2CC1OC2(C)C |
|
TCMBANKIN023398 |
KushenolG |
LMPK12112515; kushenol g; kushenol G; SCHEMBL564122; Kushenol G |
C25H28O8 |
456.5 g/mol |
CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O |
|
TCMBANKIN023440 |
3,4,3',5'-Tetrahydroxystilbene-3-glucoside |
MolPort-039-339-045; 94356-26-0; AKOS032949074; ZINC26972732; Piceatannol 3-glycoside; 3,4,3',5'-tetrahydroxystilbene-3-glucoside; CHEMBL109802; Piceatannol 3'-O-glucoside |
C20H22O9 |
406.38 |
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN023457 |
2-Methylenecycloheptanone |
Cycloheptanone, 2-methylene-; 2-methylenecycloheptan-1-one; 2-methylene-1-cycloheptanone; 2-methylidenecycloheptan-1-one |
C8H12O |
124.18 |
C=C1CCCCCC1=O |
|
TCMBANKIN023470 |
1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphernyl)-6-heptene-3,5-dione |
|
C21H22O7 |
386.43 |
|
|
TCMBANKIN023521 |
Myristargenol A |
|
C20H24O5 |
344.4 |
|
|
TCMBANKIN023539 |
plantainoside D_qt |
|
C29H36O16 |
640.59 |
|
|
TCMBANKIN023545 |
(2S)-2-methyl-3-phenylpropanal |
(2S)-2-methyl-3-phenyl-propanal; (2S)-2-methyl-3-phenyl-propionaldehyde |
|
148.22 |
|
|
TCMBANKIN023552 |
Durol |
p-Xylene, 2,5-dimethyl- (7CI); C14534; 95-93-2; Benzene, 1,2,4,5-tetramethyl-; NCIMech_000514; 44624_FLUKA; ST5188811; AI3-25182; 2,5-dimethyl-p-xylene; WLN: 1R B1 D1 E1; InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H; Durene; CHEBI:38978; 1,2,4,5-Tetramethylbenzene; NSC 6770; NSC6770; EINECS 202-465-7; T19607_ALDRICH |
C10H14 |
134.22 |
CC1=CC(=C(C=C1C)C)C |
|
TCMBANKIN023588 |
neoarctin A |
|
C42H46O12 |
742.8 g/mol |
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4=C(C=C(C=C4)CC5C(COC5=O)CC6=CC(=C(C(=C6)OC)O)OC)OC)OC)OC |
|
TCMBANKIN023607 |
quercetin-3-O-α-L-arabinopyranoside |
quercetin-3-O-α-L-ara-binopyranoside |
C20H18O11 |
434.35 |
|
|
TCMBANKIN023632 |
3'-Methoxyglabridin |
AC1NSY37; 3'-methoxyglabridin; 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-methoxybenzene-1,3-diol; SCHEMBL10730635; LMPK12080018 |
C21H22O5 |
354.4 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)O)OC)O)C |
|
TCMBANKIN023636 |
3'-O-methyl taxifolin |
|
C16H14O7 |
318.28 g/mol |
COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN023647 |
Dehydroxylinalool oxide A |
(6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyloxane; (6R)-2,2,6-trimethyl-6-vinyltetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyl-oxane |
C10H18O |
154.25 |
CC1(CCCC(O1)(C)C=C)C |
|
TCMBANKIN023661 |
9-Oxofarnesol |
9-oxofarnesol; AC1NSZBV; (6Z,10E)-12-hydroxy-2,6,10-trimethyl-dodeca-2,6,10-trien-4-one; (6Z,10E)-12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one |
C15H24O2 |
236.35 g/mol |
CC(=CC(=O)CC(=CCCC(=CCO)C)C)C |
|
TCMBANKIN023663 |
Methylenetanshinquinone |
Tanshinquinone, methylene-; 1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 67656-29-5; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-; methylene tanshinquinone; Methylene tanshinquinone; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; methylenetanshinquinone |
C18H14O3 |
278.3 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
|
TCMBANKIN023690 |
Ulmoside_qt |
|
C21H32O14 |
508.47 |
|
|
TCMBANKIN023705 |
1,8-DIMETHYLNAPHTHALENE |
45786_RIEDEL; 569-41-5; EINECS 209-314-4; C14703; 282537_ALDRICH; Naphthalene, 1,8-dimethyl-; InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H |
C12H12 |
156.22 |
CC1=C2C(=CC=CC2=CC=C1)C |
|
TCMBANKIN023716 |
Laurifoline |
(+)-Laurifoline; AKOS032962360; 7224-61-5; CHEMBL235429; MolPort-039-052-582; laurifoline; ZINC2007968 |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C |
|
TCMBANKIN023742 |
(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
AIDS-227003; (2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; 9H-pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-, (2R,3R)-; (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; AIDS227003; C09922 |
C20H18O8 |
386.35 |
COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O |
|
TCMBANKIN023809 |
(1R,4S,5S)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanol |
(1R,4S,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol; (1R,4S,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol; (1R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN023870 |
p-Toluquinaldine |
T5225172; EINECS 212-891-5; ZINC01577030; 144029_ALDRICH; EU-0000308; Quinoline, 2,6-dimethyl-; AI3-03277; 2,6-Dimethylquinoline; NSC 1782; 877-43-0; 6-Methylquinaldine; NSC1782 |
C11H11N |
157.21 |
CC1=CC2=C(C=C1)N=C(C=C2)C |
|
TCMBANKIN023946 |
Corydalmine |
corydalmine ; corydalmine |
C20H23NO4 |
341.4 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)OC |
|
TCMBANKIN023955 |
ZINC02011663 |
(3R)-octan-3-ol |
C8H18O |
130.23 |
CCCCCC(CC)O |
|
TCMBANKIN023973 |
penduletin |
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-; W1676; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one #; LMPK12112874; CTK1H1732; MolPort-035-705-982; SCHEMBL2217068; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one; 5-Hydroxy-2-(4-hydroxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; penduletin ; 2-(4-Hydroxyphenyl)-3,6,7-trimethoxy-5-hydroxy-4H-1-benzopyran-4-one (penduletin); 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one; 5,4'-Dihydroxy-3,6,7-trimethoxyflavone; CHEMBL165509; Penduletin; AKOS032948446; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one; 569-80-2; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one; YSXFFLGRZJWNFM-UHFFFAOYSA-N; BG01632786; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromone; AC1NSZHZ; DTXSID00205437; 5,4''-dihydroxy-3,6,7-trimethoxyflavanone; BDBM50338973; ZINC14644952 |
C18H16O7 |
344.3 g/mol |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN024004 |
olibanumol,a |
|
|
186.28 |
|
|
TCMBANKIN024016 |
Arnottianamide |
Formamide, N-(6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-; arnottianamide; N-[7-(2-hydroxy-3,4-dimethoxy-phenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methyl-formamide; N-[7-(2-hydroxy-3,4-dimethoxy-phenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methyl-methanamide; N-[7-(2-hydroxy-3,4-dimethoxyphenyl)-8-benzo[f][1,3]benzodioxolyl]-N-methylformamide; ZINC04716569; 60394-88-9; N-[7-(2-hydroxy-3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methylformamide |
C21H19NO6 |
381.38 |
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O |
|
TCMBANKIN024050 |
(±)-lyoniresinol |
|
C22H28O8 |
420.45 |
|
|
TCMBANKIN024064 |
(1R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-6-one |
(1R,5S)-4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enone |
C40H56O3 |
584.87 |
|
|
TCMBANKIN024101 |
dihydrodioscorine |
|
C13H21NO2 |
223.31 g/mol |
CC1CC(=O)OC2(C1)CC3CCC2CN3C |
|
TCMBANKIN024131 |
jioglutolide |
|
C9H14O4 |
186.2 g/mol |
CC1(CC(C2C1COC(=O)C2)O)O |
|
TCMBANKIN024146 |
Cyclohexanone,2-pentyl |
|
C11H20O |
168.28 g/mol |
CCCCCC1CCCCC1=O |
|
TCMBANKIN024232 |
dichotomine,d |
|
|
328.4 |
|
|
TCMBANKIN024249 |
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene |
|
|
280.39 |
|
|
TCMBANKIN024310 |
[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol |
[(2R,5S)-5-(hydroxymethyl)-2-tetrahydrofuranyl]methanol; [(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]methanol; [(2R,5S)-5-methyloltetrahydrofuran-2-yl]methanol |
C6H8O3 |
128.13 |
|
|
TCMBANKIN024356 |
Paraldehyde |
|
C6H12O3 |
132.16 |
CC1OC(OC(O1)C)C |
|
TCMBANKIN024400 |
chelamidine |
|
|
385.45 |
|
|
TCMBANKIN024482 |
meliotine |
NCI-C55890; melilotol; 3,4-dihydro-2H-chromen-2-one; 2H-1-benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-1-benzopyran-2-one; 1341-36-2; 2H-1-Benzopyran-2-one, 3, 4-dihydro-; COUMARIN,3,4-DIHYDRO; o-hydroxyhydrocinnamic acid delta-lactone; 5-17-10-00013 (Beilstein Handbook Reference); HSDB 4333; 2-chromanone; CHEBI:16151; melilotic lactone; c0397; WLN: T66 BOVT & J; EINECS 204-354-9; W238104_ALDRICH; NSC10121; Hydroxydihydrocinnamic acid lactone, o-; Melilotine; o-hydroxydihydrocinnamic acid lactone; Benzopyranone, dihydro-; 119-84-6; D104809_ALDRICH; 3,4-dihydrocoumarin; NCGC00091491-01; DIHYDROCOUMARIN; o-hydroxyhydrocinnamic acid lactone; AIDS124064; Usaf do-12; O-Hydroxycinnamic acid; FEMA No. 2381; Coumarin, 3,4-dihydro-; Chroman, 2-oxo-; melilotin; AIDS-124064; hydrocinnamic acid, o-hydroxy-,lactone; 3,4-Dihydro-2H-1-benzopyran-2-one; chroman-2-one; Dihydrobenzopyrone; C02274; Hydrocinnamic acid, o-hydroxy-, .delta.-lactone; NCI60_000035; 1,2-benzodihydropyrone; ST5308259; AI3-03425; Melilotic acid lactone; NSC 10121; Hydrocinnamic acid, o-hydroxy-, delta-lactone; Benzodihydropyrone; CCRIS 5803; BRN 0004584; InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H; hydrocoumarin; 2-Hydroxydihydrocinnamic acid lactone; Oxochroman; 3,4-Dyhydrocoumarin |
C9H8O2 |
148.16 |
C1CC(=O)OC2=CC=CC=C21 |
|
TCMBANKIN024490 |
RON |
(S)-2-Aminovaleric acid; NSC 203786; LMFA01100041; C01826; L-Norvaline (9CI); 2-Aminopentanoic acid; alpha-L-Aminopentanoic acid; Norvaline (VAN); L-2-Aminovaleric acid; 2-AMINO-PENTANOIC ACID; 2PI; Valeric acid, 2-amino-; Norvaline, L-; EINECS 229-543-3; CHEBI:18314; Pentanoic acid, 2-amino-, (S)-; (2S)-2-aminovaleric acid; N7627_SIGMA; (S)-()-2-Aminopentanoic acid; (S)-2-Aminopentanoic acid; (2S)-2-aminopentanoic acid; 2S-amino-pentanoic acid; Pentanoic acid, 2-amino- |
C5H11NO2 |
117.15 |
CCCC(C(=O)O)N |
|
TCMBANKIN024492 |
dehydroglyasperins C |
|
|
340.4 |
|
|
TCMBANKIN024501 |
1,4,6-trimethyl-1,2,3,4-tetralin |
|
|
174.31 |
|
|
TCMBANKIN024503 |
1-isochromanone |
isochroman-1-one; 4702-34-5; 3,4-Dihydro-1H-2-benzopyran-1-one; EINECS 225-179-4; Dihydroisocoumarin; 3,4-Dihydro-1H-isochromen-1-one; 1H-2-Benzopyran-1-one, 3,4-dihydro- |
C9H8O2 |
148.16 |
C1COC(=O)C2=CC=CC=C21 |
|
TCMBANKIN024513 |
o-Methylanisole |
Anisole, o-methyl-; Benzene, 1-methoxy-2-methyl-; 578-58-5; 2-Methoxytoluene; EINECS 209-426-3; W268003_ALDRICH; ZINC01693358; o-Cresyl methyl ether; AI3-23983; 2-Methylmethoxybenzene; o-Methoxytoluene; 2-Methylanisole; o-Cresol methyl ether; FEMA No. 2680; Anisole, o-methyl- (8CI); 1-Methoxy-2-methylbenzene; 1-methoxy-2-methyl-benzene; InChI=1/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H; Methyl o-tolyl ether; NSC6253; Methoxytoluene, o-; NSC 6253; M29355_ALDRICH; Methyl o-cresyl ether |
C8H10O |
122.16 |
CC1=CC=CC=C1OC |
|
TCMBANKIN024532 |
(S)-Cheilanthifoline |
(6aS)-9-methoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-8-ol; C05174; CHEBI:16233; 483-44-3; (6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN024553 |
(2R)-butan-2-amine |
(R)-(−)-sec-Butylamine; 296643_ALDRICH; (R)-(−)-2-Aminobutane |
C4H11N |
73.14 |
CCC(C)N |
|
TCMBANKIN024554 |
3-methyl-6-sec-butyl-2,5-piperazinedione |
|
|
184.27 |
|
|
TCMBANKIN024559 |
9-hydroxythymol |
|
C10H14O2 |
166.22 g/mol |
CC1=CC(=C(C=C1)C(C)CO)O |
|
TCMBANKIN024587 |
DLA |
Lactic acid, D-; D-Lactic acid; (R)-Lactic acid; Propanoic acid, 2-hydroxy-,; CHEBI:42111; (-)-Lactic acid; EINECS 233-713-2; Poly-(L-lactide); 93578_FLUKA; Poly(L-lactide); 95468_FLUKA; (R)-2-Hydroxypropanoic acid; D-2-Hydroxypropanoic acid; (2R)-2-hydroxypropanoic acid; Propanoic acid, 2-hydroxy-, (2R)-; L0625_SIGMA; D-(-)-Lactic acid; P1566_SIGMA; (R)-2-Hydroxypropionsaeure; D-Milchsaeure; 1-Lactic acid; (R)-alpha-Hydroxypropionic acid; 531170_ALDRICH; (R)-(-)-Lactic acid; D-(−)-Lactic acid; Lactel BP-0600; C00256; D-2-Hydroxypropionic acid; (R)-2-Hydroxypropionic acid; Lactic acid (D); 94829_FLUKA; (R)-Milchsaeure; L-Lactide polymer; Propanoic acid, 2-hydroxy-, (R)-; (D)-(-)-Lactic acid |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN024655 |
baogongteng C |
|
C7H13NO2 |
143.18 |
C1CC(C2CC(C1N2)O)O |
|
TCMBANKIN024683 |
Mesitol |
2,4,6-TRIMETHYLPHENOL; EINECS 208-419-2; ZINC00967332; NSC68321; BRN 1859675; BENZENE,1-HYDROXY,2,4,6-TRIMETHYL; 4-06-00-03253 (Beilstein Handbook Reference); InChI=1/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H; Benzene, 2-hydroxy-1,3,5-trimethyl-; AC-907/25014259; Mesityl alcohol; 527-60-6; 2,4,6-Trimethylofenol [Polish]; T79006_ALDRICH; 35998_RIEDEL; 1-Hydroxy-2,4,6-trimethylbenzene; 2-Hydroxymesitylene; NSC5353; 1,3,5-Trimethylphenol; NSC 5353; 442306_SUPELCO; 2,4,6-Trimetylofenol [Polish]; Phenol, 2,4,6-trimethyl-; HSDB 5677 |
C9H12O |
136.19 |
CC1=CC(=C(C(=C1)C)O)C |
|
TCMBANKIN024716 |
Majantol |
2,2-Dimethyl-3-(3-tolyl)propan-1-ol [Danish]; 2,2-Dimethyl-3-(3-methylphenyl)propanol; 2,2-Dimethyl-3-(3-tolyl)propan-1-ol; 2,2-Dimetil-3-(3-tolil)propan-1-olo [Italian]; 2,2-Dimetil-3-(3-tolil)propan-1-ol [Spanish]; EE4031404; 2,2-Dimethyl-3-(3-tolyl)propan-1-ol [German]; Benzenepropanol, beta,beta,3-trimethyl-; 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol; 2,2-Dimethyl-3-(3-tolyl)propaan-1-ol [Dutch]; 2,2-Dimethyl-3-(3-tolyl)propane-1-ol [French]; 2,2-Dimetil-3-(3-tolil)propan-1-ol [Portuguese]; 103694-68-4 |
C12H18O |
178.27 |
CC1=CC(=CC=C1)CC(C)(C)CO |
|
TCMBANKIN024733 |
(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxy phenyl)-1,6-heptadiene-3,5-dione |
|
|
354.38 |
|
|
TCMBANKIN024762 |
martynoside_qt |
|
C31H40O15 |
652.64 |
|
|
TCMBANKIN024779 |
regaloside E_qt |
|
C20H26O12 |
458.41 |
|
|
TCMBANKIN024794 |
Diphyllin |
Oprea1_318204; NSC 309691; 9-Benzo[1,3]dioxol-5-yl-4-hydroxy-6,7-dimethoxy-3H-naphtho[2,3-c]furan-1-one; 9-(13-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one; ZINC00828203; 4-Hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3H)-one; MLS000106853; STOCK1N-00276; SMR000111229; 22055-22-7; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzoxol-1-one; C10559; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one; NSC309691; Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-; Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-; BAS 00442101; Oprea1_135417; diphyllin |
C21H16O7 |
380.35 |
COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC |
|
TCMBANKIN024806 |
gamma-Terpinyl acetate |
(1-methyl-4-propan-2-ylidene-cyclohexyl) ethanoate; (4-isopropylidene-1-methyl-cyclohexyl) acetate; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate; 1-Methyl-4-(1-methylethylidene)cyclohexyl acetate; acetic acid (4-isopropylidene-1-methyl-cyclohexyl) ester; acetic acid (4-isopropylidene-1-methylcyclohexyl) ester; (1-methyl-4-propan-2-ylidenecyclohexyl) acetate; LMPR01020101; C12302; 10235-63-9; EINECS 233-564-3; p-Menth-4-en-1-yl acetate |
C12H20O2 |
196.29 |
CC(=C1CCC(CC1)(C)OC(=O)C)C |
|
TCMBANKIN024837 |
1,1-DIMETHOXY-2-METHYLPROPANE |
Isobutylaldehyde dimethyl acetal; 1,1-dimethoxy-2-methyl-propane; Propane, 1,1-dimethoxy-2-methyl-; 41632-89-7 |
C6H14O2 |
118.17 g/mol |
CC(C)C(OC)OC |
|
TCMBANKIN024860 |
ZINC04073977 |
(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
C29H48O |
412.69 |
|
|
TCMBANKIN024868 |
22410-74-8 |
2,6-Octadien-1-ol, 2,7-dimethyl-; (2E)-2,7-dimethylocta-2,6-dien-1-ol; 2,7-dimethylocta-2,6-dien-1-ol; (2E)-2,7-Dimethyl-2,6-octadien-1-ol |
C10H18O |
154.25 |
CC(=CCCC=C(C)CO)C |
|
TCMBANKIN024904 |
L-()-2,3-Butanediol |
ZINC00901619; 300349_ALDRICH; CHEBI:16812; (S,S)-(+)-2,3-butanediol; (S,S)-Butane-2,3-diol; (2S,3S)-()-2,3-Butanediol; 18967_FLUKA; C03046; (2S,3S)-butane-2,3-diol; (S,S)-2,3-Butylene glycol; (S,S)-2,3-Butanediol; 19132-06-0 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN024941 |
paeonin,b_qt |
|
|
196.22 |
|
|
TCMBANKIN024944 |
isoyatein |
|
C22H24O7 |
400.42 |
COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN024946 |
sesquicineole |
|
C15H26O |
222.37 g/mol |
CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
|
TCMBANKIN024965 |
Moracin B |
2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol; CHEMBL3397310; 2-(3-hydroxy-5-methoxy-phenyl)-6-methoxy-benzofuran-5-ol; 2-(3-hydroxy-5-methoxy-phenyl)-6-methoxy-1-benzofuran-5-ol; moracin b; 2-(3-Hydroxy-5-methoxyphenyl)-6-methoxy-5-benzofuranol; 2-(3-hydroxy-5-methoxyphenyl)-6-methoxybenzofuran-5-ol; AC1NSYRZ; 67259-16-9; 2-(3-hydroxy-5-methoxyphenyl)-6-methoxy-5-benzofuranol |
C16H14O5 |
286.28 |
COC1=CC(=CC(=C1)O)C2=CC3=CC(=C(C=C3O2)OC)O |
|
TCMBANKIN024968 |
Citrusin B_qt |
citrusin B_qt |
C27H36O13 |
568.57 |
|
|
TCMBANKIN025024 |
isopulegone |
Isopulegone (natural); 5-methyl-2-(1-methylethenyl)-cyclohexanone; SCHEMBL17067705; Isopulegone, (-)-; (-)-Isopulegone; ZINC100075758; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans- (9CI); (2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; AHQ6120987; 2-Isopropenyl-5-methylcyclohexanone #; 17882-43-8; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S-trans)-; trans-5-Methyl-2-(1-methylethenyl)cyclohexanone; 3alpha-Methyl-6beta-isopropenylcyclohexanone; 1-Isopropyl-4-methyl-2-cyclohexanone; trans-5-Methyl-2-(1-methylvinyl)cyclohexan-1-one; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S,5R)-; 8(9)-p-Menthen-3-one, delta-; UNII-AHQ6120987; pulegone; RMIANEGNSBUGDJ-BDAKNGLRSA-N; 29606-79-9; p-Menth-8-en-3-one, (1R,4S)-(-)-; UNII-681XD66YSR component RMIANEGNSBUGDJ-BDAKNGLRSA-N; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-; p-MENTH-8-EN-3-ONE, trans- |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN025034 |
2,3,4,7-tetramethoxyphenanthrene |
|
C18H18O4 |
298.3 g/mol |
COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC |
|
TCMBANKIN025053 |
citronellyl formate |
|
C11H20O2 |
184.28 |
CC(CCC=C(C)C)CCOC=O |
|
TCMBANKIN025054 |
Cardiospermin_qt |
|
|
113.13 |
|
|
TCMBANKIN025074 |
oct-1-en-2-ol |
|
C8H16O |
128.21 |
CCCCCCC(=C)O |
|
TCMBANKIN025085 |
(S)-2,2,3-Trimethylcyclopent-3-ene-1-acetaldehyde |
ZINC01063073; EINECS 245-846-3; 23727-15-3; 2-[(1S)-2,2,3-trimethyl-1-cyclopent-3-enyl]acetaldehyde; 2-[(1S)-2,2,3-trimethyl-1-cyclopent-3-enyl]ethanal |
C10H16O |
152.23 |
CC1=CCC(C1(C)C)CC=O |
|
TCMBANKIN025118 |
3S,5R-dihydroxy -6R,7-megstigmadien-9-one |
|
|
224.33 |
|
|
TCMBANKIN025131 |
3-Pentanol,2,3-dimethyl- |
|
C7H16O |
116.2 g/mol |
CCC(C)(C(C)C)O |
|
TCMBANKIN025145 |
poriol |
|
C16H14O5 |
286.28 |
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN025180 |
(2R,4aR,8aR)-2-methyldecalin |
(2R,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
C11H20 |
152.28 |
|
|
TCMBANKIN025224 |
hastatoside_qt |
|
C17H24O11 |
404.37 |
|
|
TCMBANKIN025246 |
Cyclooctene |
cis-Cyclooctene; 21395-82-4; NCIOpen2_000391; cyclooctene, (1E)-; 931-87-3; AI3-26693; (1E)-cyclooctene; NSC 72425; (7Z)-cyclooctene; 931-88-4; 29648_FLUKA; NSC72425; 125482_ALDRICH; Cyclooctene, (Z)-; (1Z)-cyclooctene; InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1; cyclooctene, (1Z)-; 931-89-5; EINECS 213-243-4; (Z)-Cyclooctene; trans-Cyclooctene; EINECS 213-245-5; (7E)-cyclooctene; Cyclooctene, (E)- |
C8H14 |
110.2 |
C1CCCC=CCC1 |
|
TCMBANKIN025252 |
N-[6-(9-acridinylamino)hexyl]benzamide |
N-[6-(acridin-9-ylamino)hexyl]benzamide |
|
397.56 |
|
|
TCMBANKIN025335 |
BDMA |
Araldite accelerator 062; 28262-13-7; N,N-Dimethyl-N-benzylamine; Benzylamine, N,N-dimethyl-; InChI=1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H; Sumine 2015; 185582_ALDRICH; N-Benzyldimethylamine; 103-83-3; EINECS 203-149-1; UN2619; Benzenemethanamine,dimethyl-; Benzenemethanamine, dimethyl-; NCGC00090991-01; N,N-dimethyl-1-phenylmethanamine; Dimethylbenzylamine; Benzenemethanamine, N,N-dimethyl-; N,N'-Dimethylbenzylamine; 13365_FLUKA; N,N-Dimethylbenzenemethanamine; 59125-51-8; N-Benzyl-N,N-dimethylamine; Benzyldimethylamine [UN2619] [Corrosive]; N,N-dimethyl-1-phenyl-methanamine; NSC5342; N,N-Dimethylbenzylamine; NSC 5342; WLN: 1N1 & 1R; benzyl-dimethyl-amine; AI3-26794; Benzyl-N,N-dimethylamine; Benzyldimethylamine; CCRIS 6693; N-(Phenylmethyl)dimethylamine |
C9H13N |
135.21 |
CN(C)CC1=CC=CC=C1 |
|
TCMBANKIN025340 |
(E)-linalool oxide acetate pyr |
[(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] acetate; trans-Linalool oxide (pyranoid), acetate; [(3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl] ethanoate; [(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate; trans-Linalool oxide acetate (pyranoid); acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] ester; acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranyl] ester |
C10H18O2 |
170.25 |
CC(=O)OC1CCC(OC1(C)C)(C)C=C |
|
TCMBANKIN025355 |
kushenol F |
LMPK12140463; kushenol f; SCHEMBL564148 |
C25H28O6 |
424.5 g/mol |
CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C(=C)C)C |
|
TCMBANKIN025398 |
OSI-2040 |
NCGC00165733-01; (3S,6S,9S,12R)-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone; (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone; (3S,6S,9S,12R)-9-(6-ketooctyl)-6-[(1-methoxyindol-3-yl)methyl]-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone; (3S,6S,9S,12R)-6-[(1-methoxy-3-indolyl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone |
C34H49N5O6 |
623.78 |
CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC |
|
TCMBANKIN025403 |
trans-4-hydroxycyclohexanc-1-carboxylic acid |
|
C7H12O3 |
144.19 |
|
|
TCMBANKIN025409 |
(-)-Drimenol |
(-)-Drim-7-en-11-ol; ACon1_002057; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-; (1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol; delta7,(8)-15-Hydroxyiresane; [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-; 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- |
C15H26O |
222.37 |
CC1=CCC2C(CCCC2(C1CO)C)(C)C |
|
TCMBANKIN025522 |
()-p-Menth-1-ene |
(4R)-1-methyl-4-propan-2-yl-cyclohexene; (4R)-4-isopropyl-1-methyl-cyclohexene; 63655_FLUKA; (+)-Carvomenthene; (R)-()-4-Isopropyl-1-methylcyclohexene; (R)-4-(Isopropyl)-1-methylcyclohexene; Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-; 1195-31-9; (4R)-4-isopropyl-1-methylcyclohexene; EINECS 214-794-3; (4R)-1-methyl-4-propan-2-ylcyclohexene |
C10H18 |
138.25 |
CC1=CCC(CC1)C(C)C |
|
TCMBANKIN025530 |
Tetradecahydro-1-methylphenanthrene |
|
C15H26 |
206.37 g/mol |
CC1CCCC2C1CCC3C2CCCC3 |
|
TCMBANKIN025541 |
Decahydro-2,3-dimethyl-naphthalene |
|
C12H22 |
166.3 |
CC1CC2CCCCC2CC1C |
|
TCMBANKIN025569 |
pedatisectine f |
|
C9H14N2O4 |
214.22 g/mol |
CC1=CN=CC(=N1)C(C(C(CO)O)O)O |
|
TCMBANKIN025598 |
wilsonic acid |
|
|
187.21 |
|
|
TCMBANKIN025599 |
ISOHEPTANE |
NSC 24840; D 726; EINECS 250-610-8; Hexane, 2-methyl-; NSC24840; M49704_ALDRICH; 591-76-4; FR-2384; 67360_FLUKA; EINECS 209-730-6; 2-Methylhexane; 31394-54-4 |
C7H16 |
100.2 |
CCCCC(C)C |
|
TCMBANKIN025660 |
Vinylxylene |
Benzene, ethenyl-, dimethyl deriv.; Benzene, 1-ethenyl-2,3-dimethyl-; DIMETHYLSTYRENE; 1,2-Dimethyl-3-Vinylbenzene; 1-ethenyl-2,3-dimethyl-benzene; 27576-03-0; 27496-76-0; EINECS 248-495-4; 1-ethenyl-2,3-dimethylbenzene; 1,2-dimethyl-3-vinyl-benzene; 40243-75-2; 2,3-Dimethylstyrene; Methyl 2,3-di-O-benzyl-4,6-di-S-benzyl-4,6-dithiohexopyranoside |
C10H12 |
132.2 g/mol |
CC1=C(C(=CC=C1)C=C)C |
|
TCMBANKIN025685 |
butyl 3-hydroxybutanoate |
|
C8H16O3 |
160.21 |
CCCCOC(=O)CC(C)O |
|
TCMBANKIN025751 |
3β- hydroxydammar-24-ene |
|
|
486.86 |
|
|
TCMBANKIN025766 |
(+)-Syringaresinol-di-O-β-D-glucosid _qt |
|
C34H46O18 |
742.72 |
|
|
TCMBANKIN025775 |
ZINC00896812 |
|
C8H16O |
128.21 |
|
|
TCMBANKIN025842 |
2S,2'S-Aurantiamide acetate |
|
|
458.6 |
|
|
TCMBANKIN025923 |
cirsiliol |
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 6,7-Dimethoxy-5,3',4'-trihydroxyflavone; AKOS025287589; 3',4',5-trihydoxy-6,7-dimethoxyflavone; CTK8I3082; 3',4',5-Trihydroxy-6,7-dimethoxyflavone; ST50331608; LS-193892; BDBM50025321; DTXSID60187907; AC1L4N9W; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-; 5,3'',4''-Trihydroxy-6,7-dimethoxyflavone; CHEMBL72637; AC1Q6AIE; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; 5,3',4'-trihydroxy-6,7-dimethoxyflavone; 34334-69-5; C10033; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromone; ZINC4098510; MCULE-9854332110; 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; MFCD00210577; ST5331608; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; MolPort-009-754-980; CHEBI:3719; FT-0620861; 6-methoxyluteolin 7-methyl ether; LMPK12111227; SCHEMBL1614677; Cirsiliol; 3',4',5-TRIHYDROXY-6,7-DIMETHOXY FLAVONE |
C17H14O7 |
330.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC |
|
TCMBANKIN025926 |
7, 8-dihydroxy-4,5-dimethyl-3,4-dihydronaphthalen-1( 2H ) -one |
|
C15H22O |
218.33 |
CC1CCC(=O)C2=C1C(=CC(=C2O)O)C |
|
TCMBANKIN025968 |
3,3'-bis-(3,4-dihydro-4-hydroxy-6-methoxy)-2H-1-benzopyran |
|
C20H22O6 |
358.39 |
|
|
TCMBANKIN025988 |
LEUCINOL |
2-METHYL-BUTYLAMINE; (2S)-2-methylbutan-1-amine; [(2S)-2-methylbutyl]amine; 241407_ALDRICH; 66139_FLUKA; (S)-(−)-2-Methyl-1-butylamine; (S)-(−)-2-Methylbutylamine; (S)-1-Amino-2-methylbutane |
C5H13N |
87.16 |
CCC(C)CN |
|
TCMBANKIN025993 |
l-Verbenone |
1196-01-6; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one; ZINC00967601; (1S,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-; AI3-23128; (1S,5S)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; Verbenone, (L)-; Pin-2-en-4-one; BB_NC-0220; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H; NSC 6831; EINECS 214-807-2 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN025999 |
BB_NC-1760 |
|
C20H22O8 |
390.38 |
|
|
TCMBANKIN026003 |
Cyclopentenylpyrrolidine |
1-Pyrrolidino-1-cyclopentene; 1-(1-Pyrrolidinyl)cyclopentene; NSC29653; N-(Cyclopent-1-ene-1-yl)pyrrolidine; N-(1-Cyclopenten-1-yl)pyrrolidine; 1-Pyrrolidinocyclopentene; Pyrrolidine, 1-(1-cyclopenten-1-yl)-; 149446_ALDRICH; 1-(Cyclopent-1'-enyl)pyrrolidine; NSC 29653; 1-(1-Pyrrolidinyl)-1-cyclopentene; 1-(1-Pyrrolidino)cyclopentene; 1-(1-cyclopentenyl)pyrrolidine; 7148-07-4; EINECS 230-463-6; 1-(1-Cyclopenten-1-yl)pyrrolidine; 1-Cyclopentenylpyrrolidine |
C9H15N |
137.22 g/mol |
C1CCN(C1)C2=CCCC2 |
|
TCMBANKIN026017 |
h-Met-h |
L-2-Amino-4methylthiobutyric acid; (2S)-2-amino-4-(methylthio)butanoic acid; NSC 22946; Methionine (USP); L-Methionine Z (TN); 2-Amino-4-methylthiobutanoic acid (S)-; L-Methionine-35S; Metionina [DCIT]; 24425-78-3; h-Met-oh; M9625_SIAL; (S)-methionine; nchembio816-comp7; Acimethin; (35S)Methionine; S-Methyl-L-homocysteine; Toxin WAR (Bacillus thuringiensis strain PS205C); Soft tissue sarcoma-associated protein (human clone WO2004048938-SEQID-1139); M8439_SIAL; (L)-Methionine; (2S)-2-amino-4-(methylthio)butyric acid; 3654-96-4; 64319_FLUKA; L-Methionine Z; 58576-49-1; EINECS 200-562-9; NCGC00160620-01; (S)-(+)-Methionine; (2S)-2-amino-4-methylsulfanylbutanoic acid; C00073; C-11 Met; Poly-L-methionine; Polymethionine; L-Homocysteine, S-methyl-; HSDB 4317; L-alpha-Amino-gamma-methylmercaptobutyric acid; D00019; CCRIS 5536; L-gamma-Methylthio-alpha-aminobutyric acid; L-Methionine, labeled with carbon-11; (S)-2-amino-4-(methylthio)butyric acid; NSC 118113; nchembio.2007.56-comp4; gamma-Methylthio-alpha-aminobutyric acid; Methionine [USAN:INN]; L-Methioninum; carbon-11 methionine; (S)-2-Amino-4-(methylmercapto)butyric acid; CCRIS 5528; 26062-47-5; C-11 Methionine; Methionine (VAN); (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoic acid; Methionine C 11; 2-Amino-4-(methylthio)butyric acid, (S)-; Liquimeth; Methioninum [INN-Latin]; L-2-Amino-4-(methylthio)butanoic acid; Methionine, L- (8CI); L(-)-Amino-gamma-methylthiobutyric acid; L-Methionin; InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8; CHEBI:16643; M5308_SIGMA; L-Methionine, homopolymer; L-Methionine (JP15); L-alpha-Amino-gamma-methylthiobutyric acid |
C5H11NO2S |
149.21 g/mol |
CSCCC(C(=O)O)N |
|
TCMBANKIN026031 |
cis-5-Hydroxy-p-menth-1(6)-en-2-one |
(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-1-cyclohex-2-enone; (4S,5R)-4-hydroxy-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one; (4S,5R)-4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-one; (4S,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one |
C10H16O2 |
168.23 g/mol |
CC1=CC(C(CC1=O)C(C)C)O |
|
TCMBANKIN026047 |
linalool oxide, trans-pyranoid |
(3R,6S)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6S)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; linalool oxide IV (trans, pyranoid); (3R,6S)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol |
C10H18O2 |
170.25 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN026084 |
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol |
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol |
|
222.36 |
|
|
TCMBANKIN026112 |
2,4,6-Trichloro-3-methoxy-5-methylphenol |
Phenol, 2,4,6-trichloro-3-methoxy-5-methyl-; 2,4,6-trichloro-3-methoxy-5-methyl-phenol |
C19H25Cl3O11 |
535.75 |
CC1=C(C(=C(C(=C1Cl)OC)Cl)O)Cl |
|
TCMBANKIN026131 |
Miltirone |
Rosmariquinone; CHEBI:34851; FEFAIBOZOKSLJR-UHFFFAOYSA-N; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthrenedione; 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; Miltiron; NSC-639662; 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; CJ-24294; SCHEMBL13568178; AC1L4N45; AC1Q6N8T; DTXSID20181683; 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AKOS015909796; AK554013; 20-Nor-5,7,9,13-abietatetraene-11,12-dione; C13715; D02UOE; 8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione; MolPort-027-720-891; API0026123; NSC 639662; CHEMBL45830; 27210-57-7; Y0137; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI; AIDS136736; BDBM50009219; AIDS-136736; Ambap27210-57-7; ZINC1537184; FT-0628947; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone; CTK4F9266; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-quinone; NSC639662; I14-31842; NCI60_013161; miltirone; 2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione |
C19H22O2 |
282.38 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
|
TCMBANKIN026140 |
(1S,4aS,5R,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid |
(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid |
C16H22O11 |
390.34 |
|
|
TCMBANKIN026250 |
Trimethylnaphthalene |
17057-91-9; TRIMETHYL NAPHTHALENE; EINECS 241-121-0; Naphthalene, trimethyl-; 1,3,8-TRIMETHYLNAPHTHALENE; 28652-77-9 |
C13H14 |
170.25 |
CC1=C2C(=CC(=CC2=CC=C1)C)C |
|
TCMBANKIN026257 |
3,3-Dimethylpent-1-ene |
3,3-Dimethyl-1-pentene; NSC74136; 1-Pentene, 3,3-dimethyl-; 3404-73-7; EINECS 222-286-8 |
C7H14 |
98.19 |
CCC(C)(C)C=C |
|
TCMBANKIN026267 |
NFP |
NSC 404158; Piperidinoformamide; piperidine-1-carbaldehyde; EINECS 219-986-0; ZINC00388699; NSC1066; AI3-15238; NSC 1066; FPI; WLN: T6NTJ AVH; N-Formylpiperidine; Formylpiperidine; N-Formylpiperidin; Piperidine-1-carboxaldehyde; F17407_ALDRICH; 2591-86-8; N-Formylpiperidin [German]; Piperidine-N-carbaldehyde; NSC404158; SBB004316; Piperidine, 1-formyl-; 1-Piperidinecarboxaldehyde; 1-Formylpiperidine; InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H |
C6H11NO |
113.16 |
C1CCN(CC1)C=O |
|
TCMBANKIN026346 |
(1S,2S)-2-ethylcyclohexan-1-ol |
(1S,2S)-2-ethyl-1-cyclohexanol; ZINC01690976 |
C8H16O |
128.21 |
|
|
TCMBANKIN026357 |
austrobailignan-5 |
|
C20H22O4 |
326.39 |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN026370 |
(1R,4S,4aR)-1-isopropyl-4-methyl-7-methylene-2,3,4,4a,5,6-hexahydro-1H-naphthalene |
(1R,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN026388 |
Moracin C |
5-(6-hydroxy-2-benzofuranyl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; AKOS032948816; 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; MORACIN-C; CTK5C9095; DTXSID70219182; 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)resorcinol; 2-(3,5-Dihydroxy-4-prenylphenyl)-6-hydroxybenzofuran; BG01022795; 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; 1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-; 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol; CHEMBL2018876; 5-(6-Hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-1,3-benzenediol, 9CI; AIDS095914; AIDS-095914; BDBM50381284; moracin c; 69120-06-5; AC1L4DWG; MolPort-035-706-137; 5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol; 5-(6-Hydroxy-benzofuran-2-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol; ZINC5158948; W2020 |
C19H18O4 |
310.34 |
CC(=CCC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C |
|
TCMBANKIN026396 |
8-hydroxy-1,2,6-trimethoxy-xanthone |
8-hydroxy-1,2,6-trimethoxy-xanthen-9-one; 20882-69-3; 8-Hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one; 8-hydroxy-1,2,6-trimethoxy-9-xanthenone; 1-Hydroxy-3,7,8-trimethoxyxanthen-9-one; 8-hydroxy-1,2,6-trimethoxyxanthen-9-one |
C16H14O6 |
302.28 |
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC |
|
TCMBANKIN026414 |
betanin_qt |
|
C24H26N2O13 |
550.47 |
|
|
TCMBANKIN026434 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate; 3-hydroxy-3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; 3-hydroxy-3-methyl-butyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester |
|
388.45 |
|
|
TCMBANKIN026437 |
chelilutine |
AC1NSTI5; 1,2,5-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
C22H20NO5+ |
378.4 g/mol |
C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN026491 |
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol |
|
|
306.29 |
|
|
TCMBANKIN026536 |
Tinnevellin glucoside |
|
C20H24O9 |
408.4 g/mol |
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN026539 |
belamcandin |
|
C19H18O7 |
358.3 g/mol |
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC)OC |
|
TCMBANKIN026561 |
R-methyl 2-pyrrolidin-2-yl-acetate |
|
C12H21NO4 |
243.3 |
|
|
TCMBANKIN026596 |
3,23-dihydroxy-12-oleanen-28-oic acid |
|
|
518.56 |
|
|
TCMBANKIN026648 |
4,4-dimethyloxolan-2-one |
4,4-dimethyltetrahydrofuran-2-one; 2(3H)-Furanone, dihydro-4,4-dimethyl-; .beta.,.beta.-Dimethyl-.gamma.-butyrolactone; BRN 0107181; 4,4-Dimethylbutyrolactone; Dihydro-4,4-dimethyl-2(3H)-furanone; beta,beta-Dimethylbutylrolacton [German]; 4,4-dimethyl-2-tetrahydrofuranone; 13861-97-7; 5-17-09-00045 (Beilstein Handbook Reference); 4,4-DIMETHYLDIHYDROFURANONE |
C6H10O2 |
114.14 |
CC1(CC(=O)OC1)C |
|
TCMBANKIN026684 |
2-octen-4-ol |
|
C8H16O |
128.21 |
CCCCC(C=CC)O |
|
TCMBANKIN026714 |
Cyclooctadiene |
NSC105773; cycloocta-1,3-diene; InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2; cis,cis-1,3-Cyclooctadiene; NSC 105773; UN2520; 274100_ALDRICH; (1Z,3Z)-cycloocta-1,3-diene; NSC72422; (3Z)-cycloocta-1,3-diene; 1700-10-3; 1,3-Cyclooctadiene, (Z,Z)-; 29965-97-7; 29570_FLUKA; ST5409770; NSC 72422; Cyclooctadienes [UN2520] [Flammable liquid]; AI3-26696; 1,3-cyclooctadiene, (1Z,3Z)-; (1Z,3E)-cycloocta-1,3-diene; 489395_ALDRICH; 1,3-Cyclooctadiene; 3806-59-5; EINECS 216-929-1 |
C8H12 |
108.18 |
C1CCC=CC=CC1 |
|
TCMBANKIN026717 |
sparassol |
methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 |
C10H12O4 |
196.2 g/mol |
CC1=CC(=CC(=C1C(=O)OC)O)OC |
|
TCMBANKIN026730 |
3-Methylpent-2-ene |
3-METHYL-2-PENTENE (CIS); 3-METHYL-2-PENTENE; NSC 73912; 68490_FLUKA; 2-Pentene, 3-methyl-; 2-pentene, 3-methyl-, (2E)-; InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4; 3-Methyl-trans-2-pentene; (E)-3-Methyl-2-pentene; (E)-3-Methylpent-2-ene; EINECS 210-465-3; EINECS 213-077-2; 616-12-6; NSC73912; 2-Pentene, 3-methyl-, (E)- (8CI)(9CI); (2E)-3-methylpent-2-ene; trans-3-Methyl-2-pentene; 3-Methyl-2-pentene, mixture of cis and trans; 111775_ALDRICH; 922-61-2; 2-Pentene, 3-methyl-, (E)- |
C6H12 |
84.16 |
CCC(=CC)C |
|
TCMBANKIN026747 |
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one |
7,9-dihydroxy-6-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone |
C16H10O7 |
314.25 |
|
|
TCMBANKIN026762 |
WLN: G1R |
TOLUENE,ALPHA-CHLORO; Benzene, chloromethyl-; Chloromethylbenzene; InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H; Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive]; Tolyl chloride; Toluene, alpha-chloro-; 185558_ALDRICH; 100-44-7; Merrifield resin; Chlorure de benzyle [French]; UN1738; CCRIS 79; ST5214092; 63862_FLUKA; .omega.-Chlorotoluene; 27987-13-9; (Chloromethyl)polystyrene; .alpha.-Chlorotoluene; NSC 8043; alpha-Chlortoluol [German]; Benzyl chloride; Benzylchlorid [German]; Toluene, .alpha.-chloro-; Benzylchloride; RCRA waste no. P028; NSC8043; NCI-C06360; nchembio814-comp11; BRN 0471308; CHLOROTOLUENE; Benzyl chloride [UN1738] [Poison]; Chlorophenylmethane; Benzile(cloruro di); HSDB 368; alpha-Chlorotoluene; 4-05-00-00809 (Beilstein Handbook Reference); Benzylchlorid; Chlorure de benzyle; 63875_FLUKA; Oxsol 10; 25168-05-2; Benzyle (chlorure de) [French]; Toluene, ar-chloro-; AI3-15518; .alpha.-Chlortoluol; Benzile (cloruro di) [Italian]; RCRA waste number P028; EINECS 246-698-2; 63861_FLUKA; 63864_FLUKA; (Chloromethyl)benzene; 643661_ALDRICH; Benzyle(chlorure de); 63868_FLUKA; NCGC00090818-01; EINECS 202-853-6; Chloromethyl on Rasta Resin; Benzene, (chloromethyl)- |
C7H7Cl |
126.58 g/mol |
C1=CC=C(C=C1)CCl |
|
TCMBANKIN026781 |
ZINC04521547 |
(3R)-hept-1-en-3-ol |
C7H14O |
114.19 |
|
|
TCMBANKIN026782 |
dichotomoside,e_qt |
|
|
252.34 |
|
|
TCMBANKIN026792 |
SBU |
InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H; CHEBI:37808; EINECS 270-682-4; NBU; n-Butan; Butane, pure; Butanen [Dutch]; EINECS 203-448-7; n-Butane; EINECS 270-653-6; SEC-BUTYL GROUP; HC 600 (hydrocarbon); HSDB 944; Alkanes, C3-4; 68476-42-6; Mixed (C1-C4) hydrocarbons from crude distillation; 68514-31-8; Diethyl; CCRIS 2279; Butanes, fuel for Micro Torch; 443670_ALDRICH; 68551-21-3; 18921_FLUKA; Butane (NF); R 600; D03186; UN1011; BUTANE; Butane-propane mixture; BUTYL GROUP; Hydrocarbons, C4-5; 68475-59-2; Butani [Italian]; R 600 (alkane); n-C4H10; Hydrocarbons, C1-4; Butyl hydride; 68527-17-3; 106-97-8; Mixed (C1-C4) hydrocarbons from thermal cracking; Mixed (C1-C4) gases from polymerization process; Methylethylmethane; EINECS 271-032-2; Butane or butane mixtures [UN1011] [Flammable gas]; A 21 (lowing agent); 494402_ALDRICH; HC 600; Butane [USAN]; Mixed (C1-C4) hydrocarbons from absorber |
C4H10 |
58.12 |
CCCC |
|
TCMBANKIN026796 |
saponarin_qt |
|
C27H30O15 |
594.52 |
|
|
TCMBANKIN026797 |
-cis-.beta.-Elemene diastereomer |
(1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane; (1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane; (1S,2R,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN026812 |
(S)-4-Nonanolide |
104-61-0; (5S)-5-pentyloxolan-2-one; gamma-Nonalactone; (5S)-5-pentyltetrahydrofuran-2-one; Dihydro-5-pentyl-2(3H)-furanone; 74314_FLUKA; (5S)-5-amyltetrahydrofuran-2-one; C08501; (S)-gamma-Pentyl-gamma-butyrolactone; (S)-Dihydro-5-pentyl-2(3H)-furanone; (5S)-5-pentyl-2-tetrahydrofuranone |
C9H16O2 |
156.22 |
CCCCCC1CCC(=O)O1 |
|
TCMBANKIN026824 |
CREBANINE |
NSC335648; NCI60_002939; Crebanine |
C20H21NO4 |
339.39 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
|
TCMBANKIN026842 |
(2S)-2-amyl-2-methyl-oxirane |
(2S)-2-methyl-2-pentyloxirane; (2S)-2-methyl-2-pentyl-oxirane |
C8H16O |
128.21 |
|
|
TCMBANKIN026843 |
3-phenylhexane |
|
C12H18 |
162.27 |
CCCC(CC)C1=CC=CC=C1 |
|
TCMBANKIN026848 |
Ethylcyclohexane |
QSPL 100; LMFA11000659; TRA0083601; ETHYLCYCLOHEXANE; UNII-567IJI1215; ethyl-cyclohexane; NSC-8880; DSSTox_CID_30334; ST51047216; DSSTox_GSID_51779; AKOS015906531; Cyclohexane, ethyl-; AK114241; CJ-26661; SBB061162; Jsp003393; InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H; NSC 8880; NCGC00357050-01; RL02152; J-010406; WLN: L6TJ A2; NCGC00166032-01; AJ-28747; 567IJI1215; EINECS 216-835-0; Ethylcyclohexane, >=99%; AI3-15348; CAS-1678-91-7; TR-007279; IIEWJVIFRVWJOD-UHFFFAOYSA-N; KB-51542; MFCD00001523; NSC8880; I14-21466; MCULE-9302115958; I14-6754; 8567AA; 1678-91-7; AN-49676; E19154_ALDRICH; Tox21_303745; FCH1116711; ST24030704; ethylcyclohexane; AC1L2616; RTR-007279; cyclohexylethane; A810916; Ethyl cyclohexane; ACMC-1C1QU; LS-56823; J-521341; ZINC1648302; FT-0626176; E0073; CHEMBL1882821; TRA0085673; DTXSID1051779; MolPort-003-933-653 |
C8H16 |
112.21 |
CCC1CCCCC1 |
|
TCMBANKIN026864 |
(1R,4S)-bicyclo[2.2.1]hept-2-ene |
InChI=1/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H |
C7H10 |
94.15 |
C1CC2CC1C=C2 |
|
TCMBANKIN026873 |
(-)-Olivir |
(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)-3-tetrahydrofuranol; (3S,4R,5S)-3-(4-hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-ol; AIDS224555; 3-Furanmethanol, 2-(4-hydroxy-3-methoxyphenyl)tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4S)-; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)tetrahydrofuran-3-ol; AIDS-224555 |
C26H34O12 |
538.54 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN026916 |
2-METHYLTRIDECANE |
1560-96-9; Tridecane, 2-methyl- |
C14H30 |
198.39 |
CCCCCCCCCCCC(C)C |
|
TCMBANKIN026918 |
coryincine |
|
|
354.49 |
|
|
TCMBANKIN026940 |
o-Cresol, 6-ethyl- |
ZINC02571305; 1687-64-5; 2-ethyl-6-methyl-phenol; Phenol, 2-ethyl-6-methyl-; ST5408891; 2-Ethyl-6-methylphenol |
C9H12O |
136.19 |
CCC1=CC=CC(=C1O)C |
|
TCMBANKIN026954 |
propyl cyclopentane |
Propylcyclopentane; 82180_FLUKA; ST5411564; WLN: L5TJ A3; Cyclopentane, propyl-; n-Propylcyclopentane; BRN 1900338; NSC 73947; EINECS 218-042-5; 4-05-00-00125 (Beilstein Handbook Reference); NSC73947; 1-Cyclopentylpropane; InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H; 2040-96-2 |
C8H16 |
112.21 |
CCCC1CCCC1 |
|
TCMBANKIN026979 |
(1R,4S)-Iso-dihydrocarvone |
C11412; (2R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5S)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5S)-5-isopropenyl-2-methyl-cyclohexan-1-one; LMPR01020085; (2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
C10H16O |
152.23 g/mol |
CC1CCC(CC1=O)C(=C)C |
|
TCMBANKIN027007 |
Spinacetin |
spinacetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one |
C17H14O8 |
346.29 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O |
|
TCMBANKIN027045 |
morintrifolins B |
|
|
378.36 |
|
|
TCMBANKIN027094 |
(1R,2R,3S)-3-methylcyclopentane-1,2-diol |
ZINC04577766 |
C6H12O2 |
116.16 |
|
|
TCMBANKIN027128 |
aucubigenin |
64274-28-8; (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol; Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-; (1R,4aR,5S,7aS)-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol |
C9H12O4 |
184.19 |
C1=COC(C2C1C(C=C2CO)O)O |
|
TCMBANKIN027175 |
2-Phenylpropene |
2-phenyl-2-propene; WLN: 1YR & U1; NCGC00090741-01; alpha-Methylstyrene; .alpha.-Metil-stirolo; 81523_FLUKA; .alpha.-Methylstyreen; 81517_FLUKA; Isopropenil-benzolo [Italian]; .beta.-Phenylpropylene; C14395; Isopropenyl-benzol [German]; UN2303; Styrene, .alpha.-methyl-; 42612-14-6; (1-Methylethenyl)benzene; InChI=1/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H; NSC 9400; 1-Methyl-1-phenylethylene; NSC9400; alpha-Metil-stirolo [Italian]; alpha-Methylstyrene monomer; Benzene, (1-methylethenyl)-; beta-Phenylpropylene; 1-Methyl-1-phenylethene; .alpha.-Methylstyrol; EINECS 202-705-0; 81520_FLUKA; prop-1-en-2-ylbenzene; AI3-18133; Ortho Brush Killer A; alpha-Methylstyreen [Dutch]; 25014-31-7; 2-Phenylpropylene; 69170_FLUKA; Isopropenyl-benzeen [Dutch]; Isopropenylbenzene; 81516_FLUKA; HSDB 196; ghl.PD_Mitscher_leg0.286; 81524_FLUKA; alpha-Methyl-styrol [German]; LS-2049; .alpha.-Methylstyrene; .beta.-Phenylpropene; 1-Phenyl-1-methylethylene; Styrene, alpha-methyl-; Isopropenil-benzolo; Isopropenyl-benzeen; 1-Propene, 2-phenyl-; 81519_FLUKA; Isopropenyl-benzol; ALPHA-METHYL STYRENE; 81522_FLUKA; 81513_FLUKA; as-Methylphenylethylene; Poly(alpha-methylstyrene); 81514_FLUKA; 81518_FLUKA; .alpha.-Methyl-styrol; Isopropenylbenzene [UN2303] [Flammable liquid]; 98-83-9; alpha-Methylstyrol; beta-Phenylpropene; 69168_FLUKA; Benzene, (1-methylethenyl)-, homopolymer; 2-Phenyl-1-propene; 1-Methylethylenebenzene; CCRIS 6067; M80903_ALDRICH; 1-MethylethenylBenzine |
C9H10 |
118.18 |
CC(=C)C1=CC=CC=C1 |
|
TCMBANKIN027230 |
Cyclohexanol,4-methoxy |
|
C7H14O2 |
130.18 |
COC1CCC(CC1)O |
|
TCMBANKIN027231 |
campesterol-3-O-β-D-glucopyranoside_qt |
|
C34H58O6 |
562.82 |
|
|
TCMBANKIN027248 |
(1R,3S,5R)-6,6-dimethyl-2-methylene-3-norpinanol |
EINECS 243-410-7; (1R,3S,5R)-6,6-dimethyl-2-methylene-norpinan-3-ol; (1R,3S,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol; (1R,3S,5R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol; 19894-98-5 |
C10H16O |
152.23 |
CC1(C2CC1C(=C)C(C2)O)C |
|
TCMBANKIN027351 |
2,3-DIMETHYLPYRAZINE |
Pyrazine, 2,3-dimethyl-; 2,3-dimethylpyrazine; FEMA No. 3271; 5910-89-4; 2, 3-dimethyl pyrazine; CCRIS 2928; W327107_ALDRICH; EINECS 227-630-0; 199400_ALDRICH; 2,3-Dimethyl-1,4-diazine; ZINC00003183; 2,3-Dimethylpyrazine (natural); InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H |
C6H8N2 |
108.14 |
CC1=NC=CN=C1C |
|
TCMBANKIN027403 |
1-[(2S)-oxolan-2-yl]ethanone |
1-[(2S)-tetrahydrofuran-2-yl]ethanone; 1-[(2S)-2-tetrahydrofuranyl]ethanone |
C6H10O2 |
114.14 |
CC(=O)C1CCCO1 |
|
TCMBANKIN027411 |
leonticine |
|
C20H25NO3 |
327.42 |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
|
TCMBANKIN027416 |
deta-elemene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN027442 |
Guaiaeol-O-β-D-diglucopyranoside |
|
|
448.47 |
|
|
TCMBANKIN027454 |
trans-1,2-Cyclopentanediol |
()-trans-1,2-Cyclopentanediol; 459259_ALDRICH; 29722_FLUKA; 1,2-Cyclopentanediol, trans-; 361445_ALDRICH; 29725_FLUKA; NSC15389; 5057-99-8; (1R,2R)-cyclopentane-1,2-diol; (1R,2R)-trans-1,2-Cyclopentanediol |
C5H10O2 |
102.13 |
C1CC(C(C1)O)O |
|
TCMBANKIN027462 |
FORSYTHINOL |
|
|
372.45 |
|
|
TCMBANKIN027488 |
(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-2-isopropenyl-5-methylhex-4-enyl]-4-chromanone |
(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]chroman-4-one; ZINC02008845 |
C25H28O6 |
424.49 |
|
|
TCMBANKIN027492 |
typhic acid |
typhicacid |
C19H20O7 |
360.4 g/mol |
CCC(C)OC(=O)C1=CC(CC2=C1C=CC=C2C(=CC(=O)O)O)C(=O)O |
|
TCMBANKIN027535 |
2-Nitrobenzoic acid |
|
C7H5NO4 |
167.12 |
C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
|
TCMBANKIN027559 |
p-mentha-1,5-dien-8-ol |
p-Mentha-1, 5-dien-8-ol |
C10H16O |
152.23 g/mol |
CC1=CCC(C=C1)C(C)(C)O |
|
TCMBANKIN027570 |
(2R)-2-methyl-3-phenylpropanal |
(2R)-2-methyl-3-phenyl-propanal; ZINC01589915; (2R)-2-methyl-3-phenyl-propionaldehyde |
C15H24 |
204.35 |
|
|
TCMBANKIN027592 |
santolina triene |
Santolinatriene |
C10H16 |
136.23 |
CC(=CC(C=C)C(=C)C)C |
|
TCMBANKIN027614 |
(+)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
400.51 |
|
|
TCMBANKIN027615 |
Isopropyl caprate |
n-Capric acid isopropyl ester; AI3-33575; propan-2-yl decanoate; Decanoic acid, 1-methylethyl ester; decanoic acid isopropyl ester; capric acid isopropyl ester; EINECS 219-001-4; ISOPROPYL DECANOATE; 2311-59-3 |
C13H26O2 |
214.34 |
CCCCCCCCCC(=O)OC(C)C |
|
TCMBANKIN027675 |
PGR |
4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 |
76.09 |
CC(CO)O |
|
TCMBANKIN027687 |
ZINC01692449 |
(3R)-pent-1-en-3-ol |
C5H10O |
86.13 |
|
|
TCMBANKIN027691 |
Butylacetat |
n-Butyl ethanoate; Octan n-butylu [Polish]; InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H; W217409_ALDRICH; EINECS 204-658-1; 496162_ALDRICH; BRN 1741921; Butyle (acetate de) [French]; n-Butylacetate; acetic acid butyl ester; 1-Butyl acetate; 33201_RIEDEL; Butylacetat [German]; n-Butyl acetate [UN1123] [Flammable liquid]; Acetic acid n-butyl ester; n-Butyl acetate (natural); 537454_ALDRICH; HSDB 152; NSC9298; 270687_ALDRICH; AI3-00406; Butylester kyseliny octove [Czech]; 402842_SIAL; Butyl acetate, n-; 287725_ALDRICH; 4-02-00-00143 (Beilstein Handbook Reference); NCGC00091573-01; 45860_FLUKA; Acetate de butyle [French]; Butile (acetati di) [Italian]; n-Butyl acetate; Octan n-butylu; 73285_FLUKA; C12304; Butyle(acetate de); 442666U_SUPELCO; CCRIS 2287; WLN: 4OV1; Butylacetaten [Dutch]; Butile(acetati di); Butylacetaten; ACETIC ACID,BUTYL ESTER; Acetic acid, butyl ester; NSC 9298; Acetate de butyle; W217417_ALDRICH; Butyl acetate; Butyl ethanoate; LS-684; ZINC01699905; 123-86-4 |
C6H12O2 |
116.16 |
CCCCOC(=O)C |
|
TCMBANKIN027718 |
MHP |
m-hydroxyphenylpropionate; 3-HYDROXYPHENYL-PROPIONATE; 4-10-00-00630 (Beilstein Handbook Reference); AI3-32395; Dihydro-3-coumaric acid; NSC 33135; Benzenepropanoic acid, 3-hydroxy- (9CI); Hydrocinnamic acid, m-hydroxy-; .beta.-(3-Hydroxyphenyl)propionic acid; m-hydroxyphenylpropionic acid; 3-(3-hydroxyphenyl)propionic acid; 3-(3-hydroxyphenyl)propanoic acid; 3HPP; NSC 39468; Benzenepropanoic acid, 3-hydroxy-; BRN 1947445; NSC33135; .beta.-(m-Hydroxyphenyl)propionic acid; beta-(3-Hydroxyphenyl)propionic acid; 3-Hydroxybenzenepropanoic acid; C11457; 3-(3-hydroxyphenyl)propionate; 3-(3-Hydroxy-phenyl)-propanoic acid; NSC39468; beta-(m-Hydroxyphenyl)propionic acid; 621-54-5; CHEBI:1427; 3-(m-Hydroxyphenyl)propionic acid; EINECS 210-692-8; ST5407837; InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12; 3-Hydroxyphenylpropanoate; 3-Hydroxyphenylpropionic acid |
C9H10O3 |
166.17 |
C1=CC(=CC(=C1)O)CCC(=O)O |
|
TCMBANKIN027731 |
Isosinensetin |
2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-chromone; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-chromen-4-one; 6-Demethoxynobiletin; Y0015; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one; UYCWETIUOAGWIL-UHFFFAOYSA-N; LMPK12111403; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one; AC1LCKK0; Flavone, 3',4',5,7,8-pentamethoxy-; MolPort-027-637-295; UNII-63Z99S38LE; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-4-chromenone; 17290-70-9; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one; 3',4',5,7,8-Pentamethoxyflavone; AKOS016012041; KB-221450; AJ-65275; isosinensetin; Isosinensetin3',4' ,5,7,8-pentamethoxyflavone; ZINC14645298; AK120372; AX8245788; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-; 63Z99S38LE; DTXSID80348199; SCHEMBL987761; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one #; CHEMBL451707; 5,7,8,3',4'-pentamethoxyflavone |
C20H20O7 |
372.4 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC |
|
TCMBANKIN027749 |
(20S)-3β-acetoxy- 12β,16β-trihydroxydammar-24-ene |
|
|
518.86 |
|
|
TCMBANKIN027765 |
Tropone |
2,4,6-CYCLOHEPTATRIEN-1-ONE; InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6; cyclohepta-2,4,6-trien-1-one; ZINC02034873; 252832_ALDRICH; 539-80-0; 1-cyclohepta-2,4,6-trienone; 93553_FLUKA; EINECS 208-725-6 |
C7H6O |
106.12 |
C1=CC=CC(=O)C=C1 |
|
TCMBANKIN027794 |
eudesmol |
Eudesmol; IGDPRNLDNSDIJI-HNQLUHSGSA-N; 2-Naphthalenemethanol, decahydro-.alpha.,.alpha.,4a,8-tetramethyl-, didehydro deriv., [2R-(2.alpha.,4a.alpha.,8a.beta.)]-; 2-[(2S,4aR)-4a,8-dimethyl-2,5,8,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol; beta-Eudesmol; AC1O5EEN |
C15H24O |
220.35 g/mol |
CC1C=CCC2(C1CC(C=C2)C(C)(C)O)C |
|
TCMBANKIN027796 |
berchemiasideA_qt |
|
|
178.2 |
|
|
TCMBANKIN027836 |
izmirine |
|
C20H21NO5 |
355.38 |
CC1OC2=C(O1)C3=C(C=CC4CC(=O)C=C(C4C(=CNC3)O)OC)C=C2 |
|
TCMBANKIN027871 |
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
|
C15H20O |
216.32 |
|
|
TCMBANKIN027884 |
Isoamyl octylate |
Isopentyl octanoate; octanoic acid isopentyl ester; Isoamyl octanoate (natural); EINECS 218-004-8; Octanoic acid, 3-methylbutyl ester; Isopentyl octylate; 2035-99-6; AI3-01827; Isoamyl octanoate; BRN 1767760; caprylic acid isoamyl ester; Isopentyl alcohol, octanoate; W208019_ALDRICH; W208000_ALDRICH; Octanoic acid, isopentyl ester; Isoamyl caprylate; 3-METHYLBUTYL OCTANOATE; FEMA No. 2080 |
C13H26O2 |
214.34 |
CCCCCCCC(=O)OCCC(C)C |
|
TCMBANKIN027893 |
carthamone |
LMPK12120410 |
C15H10O6 |
286.24 |
C1=CC(=CC=C1C=CC(=O)C2=C(C(=O)C(=O)C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN027934 |
ZINC02038914 |
(3S)-2-methylpent-1-en-3-ol |
C56H93N19O25 |
1432.45 |
|
|
TCMBANKIN027947 |
moracin M-6-O-β-D-glucopyranoside |
|
|
404.4 |
|
|
TCMBANKIN027972 |
sesquipinsapol B |
|
C30H36O9 |
540.6 |
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CC(CO)C(CC4=CC(=C(C=C4)O)OC)CO |
|
TCMBANKIN027974 |
L-Lysin |
AI3-26523; h-Lys-oh; 3H-Lysine; EINECS 200-294-2; Lysine, L-; 20166-34-1; 48050-57-3; 2,6-Diaminohexanoic acid, (S)-; Hydrolysine; Lysine homopolymer, L-; Lysinum [Latin]; (S)-2,6-Diaminocaproic acid; Gidrolizin; L-Lysine, homopolymer; 280114-50-3; D02304; L5501_SIGMA; 12798-06-0; nchembio861-comp2; LYS (IUPAC abbreviation); Polylysine; 4-04-00-02717 (Beilstein Handbook Reference); (2S)-2,6-diaminohexanoic acid; L-Lysine, labeled with tritium; (S)-Lysine; (S)-alpha,epsilon-Diaminocaproic acid; L-103; L-Norleucine, 6-amino-; W384704_ALDRICH; Lisina [Spanish]; Aminutrin; alpha-Lysine; (2S)-2,6-Diamino-hexanoic acid; (S)-2,6-diaminohexanoic acid; 25104-18-1; CHEBI:18019; L9037_SIGMA; Hexanoic acid, 2,6-diamino-, (S)-; Hydrolysin; 62840_FLUKA; C00047; BRN 1722531; 6899-06-5; HSDB 2108; Lysine [USAN:INN]; Lysine (USAN); 26714-32-9 |
C6H12N2O |
128.17 g/mol |
C(CCN)C[CH+]C(=O)[NH-] |
|
TCMBANKIN027992 |
eriodictyol |
Eriodictyol; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; 552-58-9; CHEBI:28412; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; C05631; (S)-3',4',5,7-Tetrahydroxyflavanone; 74565_FLUKA; eriodictyol ; ERD; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; ZINC00058117; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one |
C15H12O6 |
288.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN028014 |
thalifendine |
Thalifendine chloride; CHEMBL491544 |
C19H16NO4+ |
322.3 g/mol |
COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O |
|
TCMBANKIN028071 |
ZINC03996196 |
(1R,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
C22H26O6 |
386.44 |
|
|
TCMBANKIN028077 |
HAI |
BRN 0471175; c0690; Cyclohexanamine; C00571; C104655_ALDRICH; InChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H; 1-AMINO-CYCLOHEXANE; Aniline, hexahydro-; LS-473; ST5213819; 4-12-00-00008 (Beilstein Handbook Reference); Hexahydroaniline; AI3-15323; AIDS-008396; AIDS008396; 1-Cyclohexylamine; Aminocyclohexane; NCI60_004907; Benzenamine, hexahydro-; 1-Aminocyclohexane; 240648_ALDRICH; Cyclohexylamine [UN2357] [Corrosive]; HSDB 918; Aminohexahydrobenzene; Hexahydrobenzenamine; Cyclohexylamine; CHEBI:15773; CCRIS 3645; 143247-75-0; Cyclohexyl amine; UN2357; 108-91-8; 157973-60-9; EINECS 203-629-0 |
C6H13N |
99.17 |
C1CCC(CC1)N |
|
TCMBANKIN028107 |
(+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt |
|
|
372.45 |
|
|
TCMBANKIN028120 |
Matatabiether |
2,5-dimethyl-9-methylidene-4-oxabicyclo[3.3.1]nonane; matatabiether; AC1NSXW1 |
|
166.29 |
CC1COC2(CCCC1C2=C)C |
|
TCMBANKIN028141 |
verminoside_qt |
|
C24H28O13 |
524.47 |
|
|
TCMBANKIN028145 |
2-Methyl-5-ethylpyrazine |
2-ethyl-5-methyl-pyrazine; EINECS 236-416-6; FEMA No. 3154; 2-ETHYL-5-METHYLPYRAZINE; 5-23-05-00419 (Beilstein Handbook Reference); 2-Ethyl-5-methyl pyrazine; BRN 0956719; AI3-34443; 13360-64-0; Pyrazine, 2-ethyl-5-methyl- |
C7H10N2 |
122.17 |
CCC1=NC=C(N=C1)C |
|
TCMBANKIN028149 |
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran |
3-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tet; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydr |
C39H50O20 |
838.8 |
|
|
TCMBANKIN028154 |
4-((2Z,5E)-5-methylhepta-2,5-dien-2-yl)cyclohex-1-ene |
|
|
190.36 |
|
|
TCMBANKIN028235 |
Methylenecyclopentane |
methylidenecyclopentane; EINECS 216-203-4; methylene cyclopentane; Methylene cyclopentane; 1528-30-9; InChI=1/C6H10/c1-6-4-2-3-5-6/h1-5H; 251356_ALDRICH; Cyclopentane, methylene- |
C6H10 |
82.14 |
C=C1CCCC1 |
|
TCMBANKIN028262 |
(2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid |
(2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid |
C18H16O8 |
360.31 |
|
|
TCMBANKIN028304 |
2-(2-butynyl)-cyclohexanone |
|
C10H14O |
150.22 |
CC#CCC1CCCCC1=O |
|
TCMBANKIN028329 |
(2S,12bR)-methyl 2-((E)-1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate |
|
|
350.45 |
|
|
TCMBANKIN028361 |
Methyl 5-methylhexanoate |
5-methylhexanoic acid methyl ester; Hexanoic acid, 5-methyl-, methyl ester |
C8H16O2 |
144.21 |
CC(C)CCCC(=O)OC |
|
TCMBANKIN028408 |
Iristectorigenin (9CI) |
37744-62-0; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-; 86849-77-6; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4-chromenone; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one; 3',5,7-Trihydroxy-4',6-dimethoxyisoflavone; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-chromone |
C17H14O7 |
330.29 g/mol |
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
|
TCMBANKIN028437 |
2-Methylene cyclopentanol |
|
C6H10O |
98.14 g/mol |
C=C1CCCC1O |
|
TCMBANKIN028465 |
Amyl propionate |
AI3-24356; Propionic acid, pentyl ester (6CI,7CI,8CI); propionic acid amyl ester; ZINC01586315; propanoic acid pentyl ester; n-Amyl propionate (natural); Pentyl propanate; BRN 1747102; Amyl propanoate; 410446_ALDRICH; n-Pentyl propionate; n-Pentyl propanoate; NSC 7931; Propanoic acid, pentyl ester; NSC7931; Pentyl propanoate; EINECS 210-852-7; Propionic acid, pentyl ester; n-Amyl propionate; 624-54-4; Pentyl propionate |
C8H16O2 |
144.21 |
CCCCCOC(=O)CC |
|
TCMBANKIN028477 |
(-)-Pulegone |
(5S)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one; 328847_ALDRICH; (S)-p-Menth-4(8)-en-3-one; (S)-2-Isopropylidene-5-methylcyclohexanone; 3391-90-0; InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H; Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-; (5S)-2-isopropylidene-5-methyl-1-cyclohexanone; (−)-Pulegone; ZINC01531630; 82579_FLUKA; (S)-(−)-Pulegone; (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one; (5S)-2-isopropylidene-5-methyl-cyclohexan-1-one |
C10H16O |
152.23 |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN028499 |
7-hydroxy-9-hydroxymethyl-3-oxo- |
|
|
182.24 |
|
|
TCMBANKIN028504 |
Allyloxybenzene |
AIDS017806; NSC4746; A35208_ALDRICH; NSC 4746; AI3-03143; Ether, allyl phenyl (8CI); ZINC01680380; Benzene, (2-propenyloxy)-; 3-Phenoxypropene; WLN: 1U2OR; Phenylpropenyl ether; Allyl phenyl ether; Usaf do-23; (allyloxy)benzene; prop-2-enoxybenzene; Ether, allyl phenyl; EINECS 217-125-3; 4-06-00-00562 (Beilstein Handbook Reference); Allyl phenoxylate; Phenyl 2-propenyl ether; InChI=1/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H; Phenyl allyl ether; phenyl (2-propenyl) ether; BRN 1905622; 1746-13-0; AIDS-017806 |
C9H10O |
134.18 |
C=CCOC1=CC=CC=C1 |
|
TCMBANKIN028575 |
Vanillyl alcohol |
vanillyl alcohol; V 0018; AIDS017863; CHEBI:18353; 4-Hydroxy-3-methoxyphenyl methanol; Benzenemethanol, 4-hydroxy-3-methoxy-; Vanillic alcohol; W373702_ALDRICH; 4-(hydroxymethyl)-2-methoxyphenol; 175536_ALDRICH; Vanillin alcohol; Oprea1_448599; C06317; 4-Hydroxy-3-methoxybenzyl alcohol; AIDS-017863; 4-Hydroxy-3-methoxyphenylmethanol; 2-methoxy-4-methylol-phenol; 498-00-0; 4-Hydroxy-3-methoxy-benzenemethanol; AI3-24186; 4-Hydroxy-3-methoxybenzenemethanol; 4-HYDROXY-3-METHOXY-BENZYL ALCOHOL; EINECS 207-852-4; ST5330635; 4-(hydroxymethyl)-2-methoxy-phenol; NSC 3993; 55570_FLUKA; V 0018 (alcohol); c0588; NSC3993; FEMA No. 3737; 3-Methoxy-4-hydroxybenzyl alcohol; ZINC00164388 |
C8H10O3 |
154.16 |
COC1=C(C=CC(=C1)CO)O |
|
TCMBANKIN028593 |
LOF |
ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID; (S)-(−)-3-Phenyllactic acid; LLA; 3-PHENYL-LACTIC ACID; (2S)-2-hydroxy-3-phenyl-propionic acid; L-3-Phenyllactic acid; CHEBI:43065; 113069_ALDRICH; (S)-3-phenyllactic acid; L-2-HYDROXY-3-PHENYL-PROPIONIC ACID; L−(−)-3-Phenyllactic acid; (S)-2-Hydroxy-3-phenylpropionic acid; (2S)-2-hydroxy-3-phenyl-propanoic acid; (2S)-2-hydroxy-3-phenylpropanoic acid |
C9H10O3 |
166.17 |
C1=CC=C(C=C1)CC(C(=O)O)O |
|
TCMBANKIN028634 |
arjunetin_qt |
2α,3β,19α-trihydroxyolean-12-en-28-oic acid |
|
488.78 |
|
|
TCMBANKIN028638 |
guggulsterol-II |
|
C27H46O3 |
418.65 |
CC(C)CCCC(C)(C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O |
|
TCMBANKIN028666 |
Methyl 4-hydroxyphenylacetate |
224502_ALDRICH; AI3-36062; methyl 2-(4-hydroxyphenyl)acetate; 2-(4-hydroxyphenyl)acetic acid methyl ester; methyl 2-(4-hydroxyphenyl)ethanoate; ST5406479; Benzeneacetic acid, 4-hydroxy-, methyl ester; Acetic acid, (p-hydroxyphenyl)-, methyl ester; ZINC00395674; 56145_FLUKA; EINECS 238-050-2; 14199-15-6 |
C9H10O3 |
166.17 |
COC(=O)CC1=CC=C(C=C1)O |
|
TCMBANKIN028726 |
1-[1-oxo-9(3, 4-methylenedioxyphenyl)-2E,8E-nonadienyl] pyrrolidine |
|
|
327.46 |
|
|
TCMBANKIN028754 |
desacetyl asperulosidic acid_qt |
|
C16H22O11 |
390.34 |
|
|
TCMBANKIN028756 |
isobutyric acid |
Kyselina isomaselna [Czech]; 240168_ALDRICH; Ammonium isobutyrate; 3F03259M1O; Dimethylacetic acid; NSC 62780; Propionic acid, 2-methyl-; Caswell No. 503AA; Propanoic acid,2-methyl-, ammonium salt (1:1); Isobutyric acid; Iso-butyric acid; 2-Methylpropanoic acid; 22228-82-6; Cenex RP b2; W222208_ALDRICH; EINECS 244-850-2; 2-methyl-propanoic acid; AC1L512W; Acetic acid, dimethyl-; iso-C3H7COOH; Caswell No. 044AA; Isobutyric acid (natural); ammonium 2-methylpropanoate; alpha-Methylpropanoic acid; Isobutyric acid [UN2529] [Flammable liquid]; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; Propanoic acid, 2-methyl-, ammonium salt (1:1); Methylpropanoic acid, 2-; Isobuttersaeure; DTXSID2066771; CTK4E8936; AC1Q229N; 2-METHYL-PROPIONIC ACID; Tenox IBP-2; Tenox EBP 2; Isopropylformic acid; UN2529; 79-31-2; Isobutyrate; 2-Methylpropionic acid; LMFA01020071; Isobutanoate; .alpha.-Methylpropanoic acid; Tenox IBP-2 Grain Pr.; EPA Pesticide Chemical Code 101501; .alpha.-Methylpropionic acid; Isobutanoic acid; CHEBI:16135; ALQ; BRN 0635770; GR-9234; Propanoic acid, 2-methyl-, ammonium salt; isobutyricacid; 58360_FLUKA; InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6; I1754_SIGMA; Propanoic acid, 2-methyl-; 79-31-2 (Parent); WLN: QVY1&1; C02632; FEMA No. 2222; 46935U_SUPELCO; NSC62780; 4-02-00-00843 (Beilstein Handbook Reference); azanium 2-methylpropanoate; alpha-Methylpropionic acid; SCHEMBL929931; ISB; AI3-24260; W222216_ALDRICH; HSDB 5228; UNII-3F03259M1O |
C4H8O2 |
88.11 |
CC(C)C(=O)O |
|
TCMBANKIN028759 |
Homoveratrole |
Benzene, 1,2-dimethoxy-4-methyl-; 494-99-5; NSC7378; Toluene, 3,4-dimethoxy-; EINECS 207-796-0; NSC 7378; 4-Methylveratrole; 1,2-Dimethoxy-4-methylbenzene; InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H; 3,4-Dimethoxytoluene; 1,2-dimethoxy-4-methyl-benzene; Toluene, 3,4-dimethoxy- (8CI); 163252_ALDRICH; ZINC00388398; 38822_FLUKA; 4-Methyl-1,2-dimethoxybenzene; 4-Methylveratrol |
C9H12O2 |
152.19 |
CC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN028815 |
1,2-dimethylcycloheptene |
1,2-Dimethyl-1-cycloheptene; Cycloheptene, 1,2-dimethyl- |
C9H16 |
124.22 g/mol |
CC1=C(CCCCC1)C |
|
TCMBANKIN028877 |
Vasodil |
Phenylmethylimidazoline; 2-Imidazoline, 2-benzyl-; 293490_ALDRICH; AIDS018851; KBioGR_000793; Lambril; 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI); SPBio_002140; Prestwick3_000060; 59-98-3 (FREE BASE); 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole; Olitensol; Prefaxil; Artonil; Prestwick0_000060; 59-97-2 (HCL); Spectrum5_001788; BRN 0128757; 2-(benzyl)-4,5-dihydro-1H-imidazole; Priscol; Spectrum4_000357; Benzidazol; Prestwick1_000060; Tolazolina [INN-Spanish]; SBB003964; 5-23-06-00488 (Beilstein Handbook Reference); KBio2_006347; C07147; 59-98-3; KBio1_000328; DivK1c_000328; Benzolin; Spectrum2_001204; 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-; CAS-59-97-2; EINECS 200-448-9; Tolazolinum [INN-Latin]; CHEBI:28502; KBioSS_001211; Benzolin (vasodilator); 2-Benzyl-4,5-imidazoline; Benzazoline; NSC 35110; NINDS_000328; BSPBio_002068; BSPBio_000219; Vasimid; Kasimid; 2-(phenylmethyl)-4,5-dihydro-1H-imidazole; Benzylimidazoline; IDI1_000328; Peripherine; Benzolin (VAN); WLN: T5M CN BUTJ B1R; KBio3_001568; BPBio1_000241; Divascol; Spectrum_000731; AIDS-018851; NSC35110; NCGC00016271-01; Prestwick2_000060; 2-Benzylimidazoline; Dilatol ASI; Imidalin; Spectrum3_000594; Vasodilatan; SPBio_000988; Ciba 3259; Tolazolin; KBio2_003779; Benzolin (vasodilator) (VAN); KBio2_001211; Tolazoline; 2-Benzyl-2-imidazoline |
C10H12N2 |
160.22 |
C1CN=C(N1)CC2=CC=CC=C2 |
|
TCMBANKIN028892 |
(2S)-2-ammonio-4-[(R)-methylsulfinyl]butyrate |
(2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate; (2S)-2-ammonio-4-[(R)-methylsulfinyl]butanoate; ZINC01529567 |
C5H11NO4S |
181.21 |
CS(=O)CCC(C(=O)[O-])[NH3+] |
|
TCMBANKIN028927 |
kushenin |
AC1NSXEP; Kushenin; LMPK12070055; 3,9-Dihydroxy-8-methoxypterocarpan; 8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; 99217-66-0 |
C25H26O7 |
438.47 |
COC1=C(C=C2C(=C1)C3COC4=C(C3O2)C=CC(=C4)O)O |
|
TCMBANKIN029006 |
piperonal |
1,3-benzodioxole-5-carbaldehyde; FR-0263; 3,4-Dihydroxybenzaldehyde methylene ketal; Heliotropine; CCRIS 5928; 3,4-(Methylenedioxy)benzaldehyde; NCGC00091137-01; CHEBI:8240; Geliotropin; 120-57-0; W291102_ALDRICH; 3,4-Methylene-dihydroxybenzaldehyde; C10812; 3,4-Methylenedioxybenzaldehyde; WLN: T56 BO DO CHJ GVH; Heliotropin (natural); NSC 26826; SBB007752; Piperonylaldehyde; 5-Formyl-1,3-benzodioxole; Dioxymethylene protocatechuic aldehyde; Piperonyl aldehyde; Benzaldehyde, 3,4-(methylenedioxy)-; InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H; Piperonaldehyde; Protocatechuic aldehyde methylene ether; EINECS 204-409-7; ZINC00001953; NSC26826; FEMA No. 2911; 3,4-Dimethylenedioxybenzaldehyde; 1,3-Benzodioxole-5-carboxaldehyde; 80820_FLUKA; P49104_ALDRICH; 3,4-METHYLEN-DIOXY-BENZALDEHYDE; 3,4-Bis(methylenedioxy)benzaldehyde; AI3-01198; Dioxymethylene-protocatechuic aldehyde; 30024-74-9; HSDB 581; Piperonal; LS-631; Heliotropin |
C8H6O3 |
150.13 g/mol |
C1OC2=C(O1)C=C(C=C2)C=O |
|
TCMBANKIN029021 |
PTBP |
425761_ALDRICH; Ucar butylphenol 4-T flake; Phenol, p-tert-butyl-; C14200; 506761_SUPELCO; Phenol, 4-(1,1-dimethylethyl)-; Phenol, p-(tert-butyl)-; InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H; NCGC00159377-03; 98-54-4; p-terc.Butylfenol; p-t-Butyl phenol; WLN: QR DX1 & 1 & 1; AI3-00126; NSC3697; 4-(1,1-Dimethylethyl)phenol; 4-t-Butylphenol; EPA Pesticide Chemical Code 064113; 4-(T-BUTYL)PHENOL; W391808_ALDRICH; 1-Hydroxy-4-tert-butylbenzene; Butylphen; p-tert-Butylphenol; EINECS 202-679-0; Ucar butylphenol 4-T; Caswell No. 130E; NCGC00159377-02; NSC 3697; B99901_ALDRICH; 4-tert-Butylphenol; p-terc.Butylfenol [Czech]; CHEBI:34444 |
C10H14O |
150.22 |
CC(C)(C)C1=CC=C(C=C1)O |
|
TCMBANKIN029053 |
(1R)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid |
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid |
C12H12N2O2 |
216.24 |
|
|
TCMBANKIN029080 |
2-methyl-3-butene-1-ol |
|
C5H10O |
86.13 |
CC(CO)C=C |
|
TCMBANKIN029097 |
(R)-Reticuline |
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (-)-reticuline; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 3968-19-2; (1R)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C05178; CHEBI:17428; (1R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol |
C19H23NO4 |
329.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN029103 |
1,6-dimethyl-1-isopropyl-1,2,3,4,4a,7-hexahydronaphthalene |
|
|
204.39 |
|
|
TCMBANKIN029129 |
7-demethyl-6-methoxy-5,6-dihydrochelerythrine |
|
C21H19NO5 |
365.38 |
|
|
TCMBANKIN029153 |
hirsutasideA |
|
|
438.57 |
|
|
TCMBANKIN029214 |
griffonilide |
|
C8H8O4 |
168.15 |
C1=CC2=CC(=O)OC2C(C1O)O |
|
TCMBANKIN029215 |
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
|
C22H23NO5 |
381.42 |
|
|
TCMBANKIN029243 |
Andrographin |
AC1NSWXN; andrographin; 5-Hydroxy-2/',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4-chromenone; 1165-40-8; 5-Hydroxy-2',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one; LMPK12111316; SCHEMBL6069963; 5-hydroxy-7,8,2'-trimethoxyflavone; Skullcapflavone I 2'-methyl ether |
C18H16O6 |
328.32 |
COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
|
TCMBANKIN029301 |
Oxyayanin B |
5,6-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromone; C10116; 4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-; Flavone, 3',5,6-trihydroxy-3,4',7-trimethoxy-; 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-chromenone; oxyayanin b; 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one; 548-74-3; 5,6-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one |
C18H16O8 |
360.31 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O |
|
TCMBANKIN029303 |
Rhamnazin |
3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromone; AIDS-147836; 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one; NSC678106; 3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-; NCI60_027977; AIDS147836; 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one; 552-54-5; Flavone, 3,4',5-trihydroxy-3',7-dimethoxy-; 3,5,4'-Trihydroxy-7,3'-dimethoxyflavone; rhamnazin; 3',7-Dimethylquercetin; 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-chromenone |
C17H14O7 |
330.29 |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN029312 |
melanin |
AKOS030232017; FT-0628190; 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1;{2,5}.0;{13,17}.0;{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone; CHEBI:89634; D0WQ4G; API0003281; CTK8G0775; 8049-97-6; XUMBMVFBXHLACL-UHFFFAOYSA-N; Phaeomelanins; Melanin; 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone; GTPL5415; Melanin from Sepia officinalis |
C18H10N2O4 |
318.3 g/mol |
CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O |
|
TCMBANKIN029405 |
mono-p-coumaroyl glyceride |
YUQSZTOOHLGKGG-ZZXKWVIFSA-N; Mono-p-coumaroyl glyceride; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-; 1-p-Coumaroylglycerol; 1-O-trans-p-Coumaroylglycerol; 2,3-DIHYDROXYPROPYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE; AC1NSYR2; (E)-2,3-dihydroxypropyl 3-(4-hydroxyphenyl)acrylate; Glyceryl p-coumarate; 1-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]glycerol; 2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
C12H14O5 |
238.24 g/mol |
C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O |
|
TCMBANKIN029417 |
ZINC02034518 |
(2S)-but-3-en-2-ol |
C4H8O |
72.11 |
CC(C=C)O |
|
TCMBANKIN029421 |
Yinyanghuo D |
119240-82-3; 3'-Prenylnaringenin; (2S)-3'-(3,3-Dimethylallyl)-4',5,7-trihydroxyflavonone; AIDS071736; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; Licoflavanone; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, (S)-; yinyanghuo d; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromone; AIDS-071736 |
C20H20O5 |
340.37 |
CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C |
|
TCMBANKIN029439 |
[(2S)-2-[[(2S)-2-(benzoylamino)-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate |
acetic acid [(2S)-2-[[(2S)-2-(benzoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propyl] ester; [(2S)-2-[[(2S)-2-(benzoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propyl] acetate; acetic acid [(2S)-2-[[(2S)-1-oxo-2-[(oxo-phenylmethyl)amino]-3-phenylpropyl]amino]-3-phenylpropyl] ester; [(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylamino)propanoyl]amino]propyl] ethanoate |
C27H28N2O4 |
444.52 |
|
|
TCMBANKIN029443 |
Ethyl anisate |
AI3-00648; NSC4160; FEMA No. 2420; 4-10-00-00368 (Beilstein Handbook Reference); W242004_ALDRICH; 4-methoxybenzoic acid ethyl ester; BRN 2209700; Ethyl p-methoxybenzoate; Benzoic acid, 4-methoxy-, ethyl ester; EINECS 202-320-8; NSC 4160; 94-30-4; Ethyl p-anisate; Ethyl 4-methoxybenzoate; ZINC01673031; Benzoic acid, p-methoxy-, ethyl ester; ST5405148; p-Anisic acid, ethyl ester; WLN: 2OVR DO1; InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H |
C10H12O3 |
180.2 |
CCOC(=O)C1=CC=C(C=C1)OC |
|
TCMBANKIN029466 |
3-[4-(1H-indol-3-yl)-3H-thiazol-2-ylidene]indole |
ZINC00103926; BAS 03014776; AIDS153675; A2977/0125510; AP-048/15614121; (3E)-3-[4-(1H-indol-3-yl)-3H-thiazol-2-ylidene]indole; (3E)-3-[4-(1H-indol-3-yl)-3H-1,3-thiazol-2-ylidene]indole; NSC701758; 3-(2-(1H-Indol-3-yl)-1,3-thiazol-4-yl)-1H-indole; 3-[4-(1H-indol-3-yl)-3H-1,3-thiazol-2-ylidene]indole; NCI60_036516; AIDS-153675 |
C27H36O13 |
568.57 |
C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54 |
|
TCMBANKIN029481 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
TCMBANKIN029532 |
(3R,4S)-3-(4-hydroxy-3-methoxy-benzyl)chroman-3,4,7-triol |
(3R,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]chroman-3,4,7-triol; (3R,4S)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]chroman-3,4,7-triol |
|
318.35 |
|
|
TCMBANKIN029537 |
N-Methyl-L-phenylalanine hydrochloride |
02452_FLUKA |
C10H13NO2 |
179.22 |
CNC(CC1=CC=CC=C1)C(=O)O.Cl |
|
TCMBANKIN029545 |
methyl hept-2-enoate |
2-Heptenoic acid, methyl ester; Methyl (2E)-2-heptenoate; methyl (E)-hept-2-enoate; (E)-hept-2-enoic acid methyl ester; hept-2-enoic acid methyl ester |
C8H16O2 |
144.21 |
CCCCC=CC(=O)OC |
|
TCMBANKIN029578 |
2-Propionylfuran |
EINECS 221-693-8; 1-Propanone, 1-(2-furyl)-; Ethyl 2-furyl ketone; Furyl ethyl ketone; 2-Furyl ethyl ketone; 1-Propanone, 1-(2-furanyl)-; 1-(2-furyl)propan-1-one; 3194-15-8; NSC27357; AI3-23587; 1-furan-2-ylpropan-1-one; InChI=1/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H; 1-(2-furyl)-1-propanone |
C7H8O2 |
124.14 |
CCC(=O)C1=CC=CO1 |
|
TCMBANKIN029583 |
3-methoxycinnamaldehyde |
O-Methoxycinnamaldehyde, (Z)-; Y72G543414; (Z)-2-Methoxycinnamaldehyde; UNII-Y72G543414; UNII-4940G3R6HE component KKVZAVRSVHUSPL-XQRVVYSFSA-N; ZINC12416855; 2-Propenal, 3-(2-methoxyphenyl)-; SCHEMBL9900345; KKVZAVRSVHUSPL-XQRVVYSFSA-N; NSC-114599; CJ-14057; 76760-43-5; NSC114599; 2-Propenal, 3-(2-methoxyphenyl)-, (2Z)-; (Z)-3-(2-Methoxyphenyl)acrylaldehyde; .beta.-(o-Methoxyphenyl)acrolein; cis-2-Methoxycinnamaldehyde; 2-Propenal, 3-(2-methoxyphenyl)-, (Z)- |
C10H10O2 |
162.19 |
COC1=CC=CC=C1C=CC=O |
|
TCMBANKIN029605 |
.alpha.-Myrcene |
2-methyl-6-methylidene-octa-1,7-diene; 1,7-Octadiene, 2-methyl-6-methylene-; 2-methyl-6-methyleneocta-1,7-diene; 2-methyl-6-methylene-octa-1,7-diene; 2-methyl-6-methylideneocta-1,7-diene |
C10H16 |
136.23 |
CC(=C)CCCC(=C)C=C |
|
TCMBANKIN029642 |
3-oxo-tirucallic,acid |
|
|
454.76 |
|
|
TCMBANKIN029647 |
putrescine |
2-Butynedinitrile; Spectrum2_001935; NSC5861; Tetramethyldiamine; PUTRESCINE; KBio2_007262; Lopac-P-7505; AC1NS0M0; KBio2_004694; Sous-azote de carbone [French]; 1,4-Diamino-n-butane; NCGC00015837-01; SCHEMBL313163; CHEMBL1255652; KBio1_000716; 2-Butynedinitrile (9CI); InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H; ACETYLENEDICARBONITRILE; PUT; 32791_FLUKA; NINDS_000716; Spectrum_001646; KBio3_002375; Putrescin; BSPBio_002875; 4-aminobutylamine; D13208_ALDRICH; 333-93-7 (DIHYDROCHLORIDE); ZERO/005579; 1,4-butanediamine; .alpha.,.omega.-Butanediamine; Putreszin; A821757; CCRIS 6751; Spectrum3_001198; SDCCGMLS-0066929.P001; ZINC02039983; AI3-25444; Lopac0_000972; AIDS081098; 1071-98-3; 1,4-diaminobutane; but-2-ynedinitrile; VZ34178; Dicyanoacetylene; H2N(CH2)4NH2; Dicyanoethyne; IDI1_000716; butane-1,4-diamine; Butylenediamine; NCGC00180885-01; BRN 0605282; 32790_FLUKA; 4-04-00-01283 (Beilstein Handbook Reference); BUTANE,1,4-DIAMINO; KBioSS_002126; butane-1,4-diamine hydrochloride; KBioGR_000933; 1,4-Butylenediamine; 1,4-Tetramethylenediamine; Spectrum5_001005; CHEBI:17148; NSC-5861; SPBio_001969; NSC60545; alpha,omega-Diamine; KBio2_002126; C02896; 110-60-1; C00134; tetramethylenediamine; AIDS-081098; DivK1c_000716; Spectrum4_000237; EINECS 203-782-3; NCI60_004431; BRN 1735267; NSC 60545 |
C4N2 |
76.06 |
C(CCN)CN |
|
TCMBANKIN029677 |
Longikaurin A |
longikaurin a |
C20H28O5 |
348.43 |
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C |
|
TCMBANKIN029680 |
ST5437276 |
|
|
168.16 |
|
|
TCMBANKIN029686 |
Armepavine |
TimTec1_005225; AC1LE4QO; CHEMBL1186477; armepavine; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; UNII-8A0GW472W3 component ZBKFZIUKXTWQTP-KRWDZBQOSA-N; 14400-96-5; LS-193195; ZINC44853; Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-, (S)-; UNII-28W0AOI5PG; 524-20-9; Phenol, 4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-; (+)-Armepavine; 1alphaH-Armepavine; Armepavine, (+)-; STOCK1N-04340; L-(+)-Armepavine; 28W0AOI5PG; 4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]methyl]phenol; C09342; S-(+)-Armepavine; 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
C19H23NO3 |
313.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
|
TCMBANKIN029706 |
Sexangularetin |
AK554337; 8-methoxykaempferol; ZINC5998554; SCHEMBL1608916; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromone; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one; LMPK12113150; AC1NQYX4; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one; BG01606211; 571-74-4; AKOS030530369; DTXSID00205715; 3,5,7,4'-tetrahydroxy-8-methoxyflavone; Herbacetin 8-methyl ether; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-chromenone; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromen-4-one; MolPort-039-338-723; CHEBI:9131; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-chromen-4-one; C10185; 8-Methylherbacetin; CTK1H0773; sexangularetin |
C16H12O7 |
316.26 |
COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O |
|
TCMBANKIN029746 |
indoxyl |
151864-03-8; 1H-INDOLOL; 480-93-3; CHEBI:17840; benzoyl benzenecarboperoxoate; (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide; 1H-Indol-3-ol; C05658; Indoxyl; 69594-78-1; AC1MJ6M8; ZINC00152333 |
C8H7NO |
133.15 g/mol |
C1=CC=C2C(=C1)C(=CN2)O |
|
TCMBANKIN029766 |
p-tert-Butylanisole |
EINECS 226-412-2; NSC 1266; Anisole, p-tert-butyl-; 1-tert-butyl-4-methoxy-benzene; 1-tert-butyl-4-methoxybenzene; Benzene, 1-(1,1-dimethylethyl)-4-methoxy-; 4-tert-Butylanisole; NSC1266; 4-tert-Butylphenyl methyl ether; ZINC01589907; AI3-03091; 565830_ALDRICH; Anisole, p-tert-butyl- (8CI); 4-Methoxy-tert-butylbenzene; InChI=1/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H; 5396-38-3; ST5405671; p-Methoxy-tert-butylbenzene |
C11H16O |
164.24 |
CC(C)(C)C1=CC=C(C=C1)OC |
|
TCMBANKIN029786 |
2,3-dihydro-1H-quinolin-4-one |
Oprea1_697248; Oprea1_507697 |
C9H7NO |
145.16 |
C1CNC2=CC=CC=C2C1=O |
|
TCMBANKIN029794 |
crenatoside_qt |
|
C29H34O15 |
622.57 |
|
|
TCMBANKIN029800 |
Methylbenzylideneacetone |
EINECS 217-599-1; (E)-3-methyl-4-phenylbut-3-en-2-one; alpha-Methyl-alpha-benzalacetone; NSC 46888; 1-Methyl-1-benzylidene-acetone; 3-METHYL-4-PHENYL-3-BUTEN-2-ONE; 42968-14-9; (E)-3-methyl-4-phenyl-but-3-en-2-one; Methyl alpha-methylstyryl ketone; BRN 0774487; 2-07-00-00298 (Beilstein Handbook Reference); 4-Phenyl-3-methyl-3-buten-2-one; 3-methyl-4-phenylbut-3-en-2-one; Benzylidene methyl ethyl ketone; 3-Benzylidene-2-butenone; 3-methyl-4-phenyl-but-3-en-2-one; FEMA No. 2734; NSC167115 |
C11H12O |
160.21 |
CC(=CC1=CC=CC=C1)C(=O)C |
|
TCMBANKIN029807 |
magnofl,orinea |
|
|
356.48 |
|
|
TCMBANKIN029831 |
Monomethyl succinate |
Succinic acid monomethyl ester; NSC511; EINECS 223-408-2; ALD-N007777; 4-methoxy-4-oxo-butanoic acid; M81101_ALDRICH; 3878-55-5; mono-Methyl hydrogen succinate; NSC 511; Succinic acid, monomethyl ester; Methyl hydrogen succinate; Succinic acid, monomethyl ester (8CI); 4-keto-4-methoxy-butyric acid; 14193_FLUKA; AI3-03389; 4-methoxy-4-oxobutanoic acid; Butanedioic acid, monomethyl ester; 3-Carbomethoxypropanoic acid; ARONIS006766 |
C5H8O4 |
132.11 |
COC(=O)CCC(=O)O |
|
TCMBANKIN029835 |
2-Methyl-6-hepten-3-ol |
|
C8H16O |
128.21 |
CC(C)C(CCC=C)O |
|
TCMBANKIN029839 |
Monachosorin A |
(2Z)-6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-7-methyl-1-oxo-5-indanyl]methylene]-5,7-dimethyl-1-indanone; monachosorin a; (2Z)-6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-7-methyl-1-oxo-2,3-dihydroinden-5-yl]methylidene]-5,7-dimethyl-3H-inden-1-one; (2Z)-6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-1-keto-7-methyl-indan-5-yl]methylene]-5,7-dimethyl-indan-1-one; (2Z)-6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-7-methyl-1-oxo-indan-5-yl]methylene]-5,7-dimethyl-indan-1-one |
C26H28O4 |
404.5 |
CC1=CC2=C(C(=C1CCO)C)C(=O)C(=CC3=C(C(=C4C(=C3)CCC4=O)C)CCO)C2 |
|
TCMBANKIN029853 |
(S)-2-Aminobutanoate |
(S)-2-Aminobutanoic acid; (2S)-2-aminobutanoic acid; L-(+)-2-aminobutyric acid; CHEBI:35619; L-2-Aminobuttersaeure; (S)-2-Aminobutyric acid; Butanoic acid, 2-amino-, (2S)-; L-alpha-Aminobutyrate; EINECS 216-083-3; A1879_SIGMA; L-alpha-Aminobutyric acid; Butanoic acid, 2-amino-, (S)- (9CI); (2S)-2-aminobutyric acid; A2536_SIGMA; NSC 97060; LMFA01100034; Butyric acid, 2-amino-, L- (8CI); 2S-amino-butanoic acid; nchembio856-comp2; C02356; (S)-2-Amino-butyric acid; (-)-2-Aminobutyric acid; L-alpha-Amino-n-butyric acid |
C4H9NO2 |
103.12 |
CCC(C(=O)O)N |
|
TCMBANKIN029879 |
Cavidine |
32728-75-9; 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine |
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
TCMBANKIN029931 |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-chromanone |
C21H22O5 |
354.4 |
|
|
TCMBANKIN029932 |
Caeruloside C_qt |
|
|
388.41 |
|
|
TCMBANKIN029976 |
trans-1-methyl-2-(2'-propenyl)cyclopropane |
|
C7H12 |
96.17 g/mol |
CC1CC1CC=C |
|
TCMBANKIN029977 |
(1R,2R,5S)-2,6,6-trimethylnorpinan-3-one |
(1R,2R,5S)-2,6,6-trimethyl-3-norpinanone; (1R,2R,5S)-2,7,7-trimethylbicyclo[3.1.1]heptan-3-one |
C10H16O |
152.23 |
|
|
TCMBANKIN029983 |
tetrahydroprotopapaverine |
|
C19H23NO4 |
329.39 |
|
|
TCMBANKIN030004 |
Metacyl |
6-methyl-1H-pyrimidine-2,4-dione; 2,4-Dihydroxy-6-methylpyrimidine; SBB004254; Pseudothymine (VAN); Methacyl; 15985-99-6; 2(1H)-Pyrimidinone, 4-hydroxy-6-methyl-; 2,4-Pyrimidinediol, 6-methyl-; Pseudothymine; 6-methylpyrimidine-2,4(1H,3H)-dione; NSC9456; AWD 23-15; 2,4(1H,3H)-Pyrimidinedione, 6-methyl-; AI3-25472; 78334-35-7; 6-Methyluracil; Uracil, 6-methyl-; ZINC00162484; AIDS020783; NSC 9456; 2(1H)-Pyrimidinone, 4-hydroxy-6-methyl- (8CI); WLN: T6MVMVJ F1; SBB004256; 6-Methyl-2,4(1H,3H)-pyrimidinedione; 626-48-2; D115207_ALDRICH; InChI=1/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9; EINECS 210-949-4; AB-323/25048156; HSDB 5508; AIDS-020783 |
C5H6N2O2 |
126.11 |
CC1=CC(=O)NC(=O)N1 |
|
TCMBANKIN030012 |
epimedokoreanone A |
|
|
142.12 |
|
|
TCMBANKIN030022 |
(2R)-1-ethoxypropan-2-ol |
ZINC02039437 |
C5H12O2 |
104.15 |
CCOCC(C)O |
|
TCMBANKIN030049 |
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone |
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone |
|
662.7 |
|
|
TCMBANKIN030052 |
(2S)-2-ethoxypentane |
|
C7H16O |
116.2 |
|
|
TCMBANKIN030098 |
davallioside A_qt |
|
|
373.39 |
|
|
TCMBANKIN030153 |
8-hydroxypinoresinal |
|
|
374.42 |
|
|
TCMBANKIN030168 |
Methyl isovalerate |
W275301_ALDRICH; Methyl 3-methylbutanoate; 59900_FLUKA; 4-02-00-00897 (Beilstein Handbook Reference); METHYL (3-METHYL)BUTANOATE; FEMA No. 2753; 556-24-1; 36492_FLUKA; Methyl isovalerianate; Methyl isovalerate [UN2400] [Flammable liquid]; Isovaleric acid, methyl ester; Methyl isopentanoate; Methyl isovalerate (natural); ZINC00391144; 3-methylbutyric acid methyl ester; 3-methylbutanoic acid methyl ester; EINECS 209-117-3; Methyl 3-methylbutyrate; UN2400; InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H; BRN 1699922; Butanoic acid, 3-methyl-, methyl ester |
C6H12O2 |
116.16 |
CC(C)CC(=O)OC |
|
TCMBANKIN030197 |
NN-Dimethyldecanamide |
N,N-Dimethylcapramide; SBB008016; N,N-Dimethylcapylamide; N,N-Dimethyldecanamide; DECANAMIDE, N,N-DIMETHYL-; FR-0759; BRN 1906042; N,N-Dimethyldecanoamide; N,N-Dimethyldecan-1-amide; AI3-34960; EINECS 238-405-1; NSC 131411; 14433-76-2; NSC131411; WLN: 9VN1&1 |
C12H25NO |
199.33 |
CCCCCCCCCC(=O)N(C)C |
|
TCMBANKIN030227 |
(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methylhept-2-en-4-one |
(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methyl-hept-2-en-4-one |
C15H24O3 |
252.35 |
|
|
TCMBANKIN030237 |
androgen |
|
C22H32O3 |
344.5 g/mol |
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
|
TCMBANKIN030255 |
Ethyl senecioate |
Ethyl beta,beta-dimethylacrylate; 3,3-Dimethylacrylic acid ethyl ester; NCIOpen2_002201; Ethyl isopropylidene acetate; AI3-32913; Ethyl isopropylideneacetate; EINECS 211-319-1; Ethyl beta-methylcrotonate; Ethyl .beta.,.beta.-dimethylacrylate; NSC 61853; 194328_ALDRICH; Ethyl 3-methyl-2-butenoate; NSC99208; NSC61853; Ethyl isobutenoate; Ethyl 3,3-dimethylacrylate; Ethyl dimethylacrylate; 638-10-8; ethyl 3-methylbut-2-enoate; NSC 99208; Crotonic acid, 3-methyl-, ethyl ester; Ethyl 3-methylcrotonate; 3-methylbut-2-enoic acid ethyl ester; 2-Butenoic acid, 3-methyl-, ethyl ester; 4-02-00-01556 (Beilstein Handbook Reference); BRN 1744854 |
C7H12O2 |
128.17 |
CCOC(=O)C=C(C)C |
|
TCMBANKIN030337 |
TBU |
Trimethylcarbinol; 360538_SIAL; tertiary-Butanol; AI3-01288; T-BUTYL ALCOHOL; Butanol tertiaire [French]; c0516; Methyl-2-propanol; 2-Methyl-2-propanol solution; BRN 0906698; Methanol, trimethyl-; 1,1-Dimethylethanol; Trimethyl methanol; InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H; tert-Butyl alcohol; Trimethylmethanol; 442790_SUPELCO; tert-butylalcohol; 2-Methylpropan-2-ol; 2-Methyl-2-propanol; t-Butanol; 449032_ALDRICH; tert-Butanol; 33067_RIEDEL; EINECS 200-889-7; CHEBI:26878; t-Butylalkohol; 308250_ALDRICH; NCI-C55367; B85927_SIAL; Dimethylethanol; 4-01-00-01609 (Beilstein Handbook Reference); TERTIARY-BUTYL ALCOHOL; 19460_FLUKA; t-Butyl hydroxide; tertiary alcohol; <i>tert</i>-Butyl alcohol; 471712_ALDRICH; CCRIS 4755; Caswell No. 124A; tertiary alcohols; 75-65-0; Alcool butylique tertiaire [French]; HSDB 50; t-butyl alchohol; CHEBI:45895; Arconol; Trimethyl carbinol; ZINC01680021; 50621_FLUKA; (CH3)3C-OH; tert-Butanol solution; 2-Propanol, 2-methyl- |
C4H10O |
74.12 |
CC(C)(C)O |
|
TCMBANKIN030358 |
Gingerenone A |
CHEMBL1086746; CHEBI:5352; Y7369; RP07048; 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; BG01645411; 1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; ZINC1531844; 128700-97-0; AC1NQZ22; (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; (E)-Gingerenone A; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, 9CI; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4E)-; gingerenone a; SCHEMBL4740686; 4-Hepten-3-one,1,7-bis(4-hydroxy-3-methoxyphenyl)-,(4E)-; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)-; (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; C10460; AKOS028112802; FWDXZNKYDTXGOT-GQCTYLIASA-N |
C21H24O5 |
356.41 |
COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN030374 |
isostyracin epoxide |
|
C18H16O3 |
280.32 |
|
|
TCMBANKIN030387 |
sophoraflavanone,g |
|
C25H28O6 |
424.49 |
|
|
TCMBANKIN030409 |
erlangerin B |
|
C24H24O9 |
456.4 g/mol |
CC(=O)OC12C(CC3=CC(=C(C(=C3C1C4=CC5=C(C=C4)OCO5)OC)OC)OC)COC2=O |
|
TCMBANKIN030422 |
Propyl n-butyl disulfide |
n-Propyl n-butyl disulphide; 1-propyldisulfanylbutane |
C7H16S2 |
164.33 |
CCCCSSCCC |
|
TCMBANKIN030473 |
1,3,5,6-tetrahydroxyxanthone |
AIDS011165; AIDS-011165; 1,3,5,6-Tetrahydroxyxanthen-9-one; 1,3,5,6-tetrahydroxy-9-xanthenone |
C13H8O6 |
260.2 g/mol |
C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN030508 |
3-[[(2R,3R,5R,6S)-3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-oxooxan-2-yl]methoxy]-3-oxopropanoic acid |
3-[[(2R,3R,5R,6S)-3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-oxo-oxan-2-yl]methoxy]-3-oxo-propanoic acid; 3-[[(2R,3R,5R,6S)-3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-oxo-2-tetrahydropyranyl]methoxy]-3-oxopropanoic acid; 3-[[(2R,3R,5R,6S)-3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-oxo-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid; 3-[[(2R,3R,5R,6S)-3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-keto-tetrahydropyran-2-yl]methoxy]-3-keto-propionic acid |
|
379.35 |
|
|
TCMBANKIN030546 |
Mukurozioside Ⅰa_qt |
|
C45H78O24 |
1003.09 |
|
|
TCMBANKIN030567 |
Eupatorin A_qt |
|
|
448.51 |
|
|
TCMBANKIN030598 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate |
3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbutanoate; 3-methylbutyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate |
C21H24O6 |
372.41 |
|
|
TCMBANKIN030613 |
Dehydrodiconiferyl alcohol 4,gamma'-di-O-beta-D-glucopyanoside_qt |
|
|
358.42 |
|
|
TCMBANKIN030614 |
ZINC02037591 |
(3S)-hex-1-en-3-ol |
C6H12O |
100.16 |
CCCC(C=C)O |
|
TCMBANKIN030621 |
(2R)-2-amino-3-(4-aminophenyl)propionic acid |
(2R)-2-amino-3-(4-aminophenyl)propanoic acid |
C9H12N2O2 |
180.2 |
C1=CC(=CC=C1CC(C(=O)O)N)N |
|
TCMBANKIN030638 |
Aureusidin |
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one; aureusidin; 2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; 38216-54-5; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; CHEBI:18149; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one; C08576; (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
C15H10O6 |
286.24 |
C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN030763 |
Acteoside_qt |
liguPurpuroside A_qt |
C29H36O15 |
624.59 |
|
|
TCMBANKIN030787 |
ascaridole |
|
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN030819 |
curculigoside |
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl 2,6-dimethoxybenzoate; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid [5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl 2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester; Curculigoside; 85643-19-2; beta-D-Glucopyranoside, 2-(((2,6-dimethoxybenzoyl)oxy)methyl)-4-hydroxyphenyl |
C22H26O11 |
466.44 |
COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN030839 |
Rouhuoside |
rouhuoside |
|
824.86 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O |
|
TCMBANKIN030843 |
tellimagrandinII |
BDBM50269544; D0E6SO; tellimagrandin ii; Tellimagrandin II; CHEMBL510512 |
C41H30O26 |
938.7 g/mol |
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O |
|
TCMBANKIN030893 |
(E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-ethoxy]-3-methoxy-phenyl]acrolein |
(E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-phenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-2-yl]oxy-3-methoxy-phenyl]prop-2-enal |
|
374.42 |
|
|
TCMBANKIN030905 |
Phthalide |
2-Hydroxymethylbenzoic acid, gamma-lactone; 3H-2-benzofuran-1-one; 79770_FLUKA; 3H-isobenzofuran-1-one; P39605_ALDRICH; ZINC00154698; AE-641/30105043; 2-benzofuran-1(3H)-one; 2-Hydroxymethylbenzoic acid, .gamma.-lactone; Phthalolactone; NSC1469; BRN 0114632; CCRIS 3598; NSC 1469; EINECS 201-744-0; 5-17-10-00007 (Beilstein Handbook Reference); 1-Isobenzofuranone; 87-41-2; 1-Phthalanone; InChI=1/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H; 1(3H)-Isobenzofuranone; AI3-05785 |
C8H6O2 |
134.13 |
C1C2=CC=CC=C2C(=O)O1 |
|
TCMBANKIN030922 |
Grandoside |
|
C17H32O11 |
412.4 g/mol |
CC(C)CCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN030927 |
7-hydroxy-5,8-dimethoxy-2-phenyl-chromone |
7-hydroxy-5,8-dimethoxy-2-phenylchromen-4-one; 7-hydroxy-5,8-dimethoxy-2-phenyl-4-chromenone; 7-hydroxy-5,8-dimethoxy-2-phenyl-chromen-4-one |
|
298.31 |
|
|
TCMBANKIN030931 |
1,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENE |
1,4,5-trimethyl-5,6-dialin; 1,2-dihydro-1,5,8-trimethylanaphthalene |
C13H16 |
172.27 g/mol |
CC1CC=CC2=C(C=CC(=C12)C)C |
|
TCMBANKIN030938 |
(E)-(4-methylbenzylidene)-(4-phenyltriazol-1-yl)amine |
1-(4-methylphenyl)-N-(4-phenyl-1,2,3-triazol-1-yl)methanimine; 1-(4-methylphenyl)-N-(4-phenyltriazol-1-yl)methanimine; 1H-1,2,3-Triazol-1-amine, N-[(4-methylphenyl)methylene]-4-phenyl-; 1-(4-methylphenyl)-N-(4-phenyl-1-triazolyl)methanimine; N-[(E)-(4-Methylphenyl)methylidene]-4-phenyl-1H-1,2,3-triazol-1-amine |
C16H14N4 |
262.31 g/mol |
CC1=CC=C(C=C1)C=NN2C=C(N=N2)C3=CC=CC=C3 |
|
TCMBANKIN030975 |
lignan |
ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl; AC1L64PD; NSC93090; J3.625.444K; AKOS030600072; SCHEMBL30935; DTXSID90293944; CTK5C2772; AK642709; Lignan; 6549-68-4; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate; NSC-93090; AC1Q6N8A |
C25H30O8 |
458.5 g/mol |
CCOC(=O)C1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C |
|
TCMBANKIN031009 |
1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
InChI=1/C16H16O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h5-8,17-18H,3-4H2,1-2H |
C16H16O2 |
240.3 g/mol |
CC1=CC2=C(C=C1O)C3=C(CC2)C(=C(C=C3)O)C |
|
TCMBANKIN031037 |
Neohexane |
39740_FLUKA; 75-83-2; CCRIS 6019; AI3-16043; EINECS 200-906-8; D151408_ALDRICH; NCGC00091659-01; Butane, 2,2-dimethyl-; 2,2-Dimethylbutane; 39730_FLUKA; WLN: 2X1&1&1; HSDB 75; InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H; NSC74126; NSC 74126 |
C6H14 |
86.18 |
CCC(C)(C)C |
|
TCMBANKIN031041 |
petunidin 3-rhamnoglucoside |
|
|
625.61 |
|
|
TCMBANKIN031058 |
paeonin,a_qt |
|
|
210.25 |
|
|
TCMBANKIN031102 |
HEXYL BUTYRATE |
EINECS 220-136-6; Hexyl butanoate; Butanoic acid, hexyl ester; AI3-33290; butyric acid hexyl ester; n-Hexyl butanoate; FEMA No. 2568; n-Hexyl butyrate; BRN 1754469; 1-Hexyl butyrate; n-Hexyl n-butanoate; Butyric acid, hexyl ester; butanoic acid hexyl ester; Hexyl butyrate; W256811_ALDRICH; Hexyl butyrate (natural); 2639-63-6; W256803_ALDRICH |
C10H20O2 |
172.26 |
CCCCCCOC(=O)CCC |
|
TCMBANKIN031136 |
Leucinum |
polyleucine; (S)-2-Amino-4-methylpentanoic acid; Leucine (H-3); 71000-80-1; 2-Amino-4-methylpentanoic acid (L); L-Norvaline, 4-methyl-; Leucina [Latin,Spanish]; NCI46709; L8912_SIGMA; (2S)-2-amino-4-methyl-pentanoic acid; L-Leucine, homopolymer; (14C)Leucine, L-; L-2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid (L); Leucine (USP); (2S)-2-amino-4-methylpentanoic acid; Leucine [USAN:INN]; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s; FEMA No. 3297; Leucina [INN-Spanish]; L-Leucine, labeled with tritium; C00123; Leucine (VAN); l-(14C)Leucine; 21675-61-6; 25248-98-0; L8000_SIGMA; (S)-2-Amino-4-methylvaleric acid; NSC-46709; (3H)Leucine; (2S)-2-amino-4-methyl-valeric acid; L-Leucin; 2-Amino-4-methyl-valeric acid; W329703_ALDRICH; L-alpha-Aminoisocaproic acid; L6914_SIAL; NCIStruc1_001860; NCIStruc2_000010; (S)-2-Amino-4-methyl-pentanoic acid; L-Leuzin; NCGC00013565; 14C-Leucine; L-Leucine (JP15); Poly(L-leucine); (S)-Leucine; Valeric acid, 2-amino-4-methyl-, (S)-; L-Leucine, labeled with carbon-14; CHEBI:15603; NSC 46709; 72706_FLUKA; D00030; AI3-08899; Leucinum [INN-Latin]; 61819_FLUKA; 70-45-1; alpha-aminoisocaproic acid; EINECS 200-522-0; Leucin [German]; 2-Amino-4-methylpentanoic acid, (S)- |
C6H13NO2 |
131.17 g/mol |
CC(C)CC(C(=O)O)N |
|
TCMBANKIN031139 |
silandrin |
DTXSID60331605; CHEBI:9138; (2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one; trans-(2R)-rel-2-[(2S,3S)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; ZINC4097705; AC1L9BFG; (-)-silandrin; rel-trans-Silandrin(Mixture of Diastereomers); LMPK12140414; 70815-32-6; Silandrin; (2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one; C08600 |
C25H22O9 |
466.44 |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O |
|
TCMBANKIN031142 |
Doederleinic acid |
(1S,2S,6R)-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-4-carboxylic acid; doederleinicacid; AC-20220; AKOS015965181; doederleinic acid |
C7H8O4 |
156.14 |
C1C2C(O2)C(C=C1C(=O)O)O |
|
TCMBANKIN031172 |
CIS-3-heptenyl acetate |
|
C9H16O2 |
156.22 |
CCCC=CCCOC(=O)C |
|
TCMBANKIN031182 |
ethenoxycyclohexane |
Vinylcyclohexyl ether; NSC75856; 409936_ALDRICH; EINECS 218-561-7; Cyclohexane, (ethenyloxy)-; 2182-55-0; Cyclohexyl vinyl ether; (Vinyloxy)cyclohexane; ST5409252 |
C8H14O |
126.2 |
C=COC1CCCCC1 |
|
TCMBANKIN031185 |
2,3-dimethoxy-2-methylbutane |
|
C7H16O2 |
132.2 |
CC(C(C)(C)OC)OC |
|
TCMBANKIN031225 |
guaiene |
beta-guaiene; β-guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN031239 |
3,3-Dimethyl allyl-p-propenyl phenyl ether |
1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #; 1-(3-methylbut-2-enoxy)-4-prop-1-enyl-benzene; Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-; UNII-QO3391G00A; Foeniculin, (E)-; (E)-Foeniculin; 1-(3-Methyl-2-butenyloxy)-4-(1-propenyl)benzene; 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene; DTXSID20228921; 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene; 78259-41-3; QO3391G00A; JGELFJUQMIUNOO-SNAWJCMRSA-N; 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene; 3,3-dimethyl allyl-p-propenyl phenyl ether; AC1NSUUD |
C14H18O |
202.29 g/mol |
CC=CC1=CC=C(C=C1)OCC=C(C)C |
|
TCMBANKIN031290 |
CRS |
3-methyl-1-hydroxybenzene; CPD-112; NCGC00159366-02; C85727_ALDRICH; W353000_ALDRICH; Metacresol; Rover's Dog Shampoo; m-Kresol [German]; CHEBI:17231; Metacresol [USAN]; WLN: QR C1; hydroxy-3-methylbenzene; m-Hydroxytoluene; m-cresylic; 65996_FLUKA; InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H; c0282; meta-cresylic acid; Caswell No. 261A; ZINC00897141; NCGC00159366-03; meta-cresol; m-toluol; m-oxytoluene; Phenol, 3-methyl-; HSDB 1815; 3-methylphenol; AI3-00136; m-Cresol [UN2076] [Poison, Corrosive]; NCGC00159366-05; 1-Methyl-3-hydroxybenzene; EINECS 203-577-9; Cresol, m-; m-cresylic acid; NSC8768; Franklin Cresolis; AIDS017739; m-Cresol, compd. With p-cresol (2:1); Metacresol (USP); 3-hydroxytoluene; CRESOL, META; Cresol, m-isomer; m-Cresole; D04951; EPA Pesticide Chemical Code 022102; NCGC00159366-04; m-methylphenol; FEMA No. 3530; 108-39-4; TOLUENE,3-HYDROXY (META-CRESOL); Celcure Dry Mix (chemicals for wood preserving); C01467; 15831-10-4; m-kresol; AIDS-017739; CCRIS 645; NSC 8768; 3-cresol; m-cresol; 1-hydroxy-3-methylbenzene; 442391_SUPELCO |
C7H8O |
108.14 |
CC1=CC(=CC=C1)O |
|
TCMBANKIN031306 |
kainic acid |
alpha- Kainic acid; K0250_SIGMA; Kainic acid monohydrate; (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate; SCHEMBL6081964; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; UPCMLD-DP146:001; D02546; Kainic acid hydrate; C12819; I519JC63XY; MLS001074661; NCGC00024504-05; 4-22-00-01523 (Beilstein Handbook Reference); rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; NSC136038; EU-0100656; (2S,3S,4R)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; NCGC00024504-03; Kainic acid [INN:JAN]; DTXSID50206732; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate, (2S-(2alpha,3beta,4beta))-; KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE; (-)-Kainic acid hydrate; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-2-pyrrolidinecarboxylic acid; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; SC-66129; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454-9; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid; BRN 0086660; NSC 136038; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; Lopac0_000656; Acide kainique [INN-French]; MolPort-009-018-775; 58002-62-3; L-alpha-Kainic acid; Kainic acid monohydrate, >=98% (HPLC), from Digenea simplex; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-; nchembio881-comp3; Digenin; HMS3649I10; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); Digenic acid; NCGC00024504-06; UPCMLD-DP146:002; Acido kainico [INN-Spanish]; BPBio1_001306; C10H15NO4.H2O; Kainic acid hydrate [JAN]; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline; 487-79-6; Kainic acid monohydrate, >=99% (TLC); (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid; 1810AH; Kainate; SMR000471885; Kainic Acid, Natural; UNII-I519JC63XY; 2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; Acidum kainicum [INN-Latin]; Kainic acid hydrate (JP17); 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; KAINIC ACID; Digenin (TN); (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; Helminal; Biomol-NT_000217 |
C10H15NO4 |
213.23 |
CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
|
TCMBANKIN031313 |
Coniferylfcrulate |
|
C20H20O6 |
356.37 |
|
|
TCMBANKIN031346 |
HXD |
Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-hydroxylauric acid; 3-OH-DODECANOATE; LMFA01050251; 3R-hydroxy-dodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; (R)-3-hydroxylauric acid; Dodecanoic acid, 3-hydroxy-, (R)-; CHEBI:43197; D-3-Hydroxydodecanoic acid; (3R)-3-Hydroxydodecanoic acid |
C12H24O3 |
216.32 g/mol |
CCCCCCCCCC(CC(=O)O)O |
|
TCMBANKIN031358 |
1,2-Dibenzoylethane |
CBDivE_002049; FR-0915; Oprea1_385312; 1,4-Butanedione, 1,4-diphenyl-; ZINC00161099; 1,4-di(phenyl)butane-1,4-dione; 495-71-6; NSC402168; SBB008126 |
C16H14O2 |
238.28 g/mol |
C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2 |
|
TCMBANKIN031363 |
dimethyl sulfoxide |
|
C2H6OS |
78.14 g/mol |
CS(=O)C |
|
TCMBANKIN031413 |
PyishiauosideⅠb_qt |
|
C33H56O15 |
692.79 |
|
|
TCMBANKIN031480 |
(1S,2S,4R)-1,2,4-trimethylcyclohexane |
|
C9H18 |
126.24 |
CC1CCC(C(C1)C)C |
|
TCMBANKIN031505 |
7-hydroxy-3-(2-ketochromen-7-yl)-6-methoxy-coumarin |
7-hydroxy-6-methoxy-3-(2-oxo-7-chromenyl)-2-chromenone; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)chromen-2-one |
C19H12O7 |
352.29 |
|
|
TCMBANKIN031514 |
pachypodol |
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one; 5,4'-dihydroxy-3,7,3'-trimethoxyflavone; LMPK12112754; 5,4'-dihydroxy-3,7,3'-quercetol trimethyl ether; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4-chromenone; KQFUXLQBMQGNRT-UHFFFAOYSA-N; 4',5-Dihydroxy-3,3',7-trimethoxyflavone; NCGC00385819-01!5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one; NSC168805; ZINC5998752; AC1NQYVJ; MolPort-019-936-991; 5,4''-dihydroxy-3,7,3''-trimethoxyflavone; SCHEMBL39280; BDBM50339157; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-; Quercetin 3,7,3'-trimethyl ether; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromone; BG01632785; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one; 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; CHEBI:70007; NSC 168805; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; MCULE-1328222272; 33708-72-4; W1661; 8AG6B2DMP5; NSC-168805; DTXSID80187388; Quercetin 3,3',7-trimethyl ether; AKOS032948402; Ro-090179; C10117; CHEMBL165180; Pachypodol; LS-39611; Ro 09-0179; UNII-8AG6B2DMP5; 3,7,3'-Quercetol trimethyl ether-5,4'-dihydroxy-; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-; 4CN-1355 |
C18H16O7 |
344.3 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN031517 |
isoincensole,oxide |
|
C20H34O3 |
322.48 |
|
|
TCMBANKIN031525 |
OXYNITIDINE |
ZINC01721695; 2,3-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-13(12h)-one; 548-31-2; oxynitidine; ZINC1721695; 6-oxynitidine; DTXSID40203275; CHEMBL488611; NSC 135066; AC1L3YUI; AC1Q6PAY; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one; NSC135066; NSC-135066; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 2,3-dimethoxy-12-methyl-; 2,3-Dimethoxy-12-methyl-12H-[1,3]dioxolo-[4',5':4,5]benzo[1,2-c]phenanthridin-13-one; CTK1H1768; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14,16,18-OCTAEN-20-ONE |
C21H17NO5 |
363.36 |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC |
|
TCMBANKIN031565 |
mudanoside A |
mudanoside a |
C14H18O9 |
330.29 g/mol |
COC1=C(C=CC(=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O)O |
|
TCMBANKIN031627 |
S-trans-N-methyltetrahydrocolumbamine |
|
|
356.48 |
|
|
TCMBANKIN031688 |
geissoschizinc acid |
|
|
352.47 |
|
|
TCMBANKIN031702 |
M-COUMARIC ACID |
2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-; m-coumaricacid; 3-(3-hydroxyphenyl)acrylic acid; CINNAMIC ACID,3-HYDROXY (TRANS); 2-Propenoic acid, 3-(3-hydroxyphenyl)-; 588-30-7; NSC50308; 3-(3-hydroxyphenyl)prop-2-enoic acid; (2E)-3-(3-hydroxyphenyl)acrylic acid; NSC 50308; 3-Coumaric acid; (E)-3-(3-hydroxyphenyl)acrylic acid; Cinnamic acid, m-hydroxy-; (E)-3-(3-Hydroxyphenyl)-2-propenoic acid; C12621; H23007_ALDRICH; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid; 3-Hydroxycinnamic acid; 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-; trans-3-Hydroxycinnamic acid; EINECS 209-615-0; m-Hydroxycinnamic acid; trans-3-Hydroxycinnamate; NSC 28956; 28180_FLUKA; NSC28956; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12; m-coumaric acid; AI3-32389; 2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI) |
C9H8O3 |
164.16 |
C1=CC(=CC(=C1)O)C=CC(=O)O |
|
TCMBANKIN031854 |
(E)-7-Hydroxy-1,7-bis-(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione |
|
|
386.43 |
|
|
TCMBANKIN031882 |
plantarenaloside_qt |
|
|
198.24 |
|
|
TCMBANKIN031884 |
1-Ethylidene-1H-indene |
|
C11H10 |
142.2 |
CC=C1C=CC2=CC=CC=C21 |
|
TCMBANKIN031893 |
Methyl undecenate |
undec-10-enoic acid methyl ester; Methyl undec-10-enoate; 25339-67-7; NSC 1273; 10-Undecenoic acid, methyl ester; Methyl undecenoate; Methyl 10-undecenate; NSC1273; 10-Undecenoic acid methyl ester; ST5409672; 111-81-9; W425301_ALDRICH; AI3-00647; Undecenoic acid, methyl ester; NCGC00166231-01; Methyl 10-undecenoate; ZINC01591830; EINECS 203-910-8; Undecylenic acid methyl ester; Undecylenic acid, methyl ester; U8502_SIGMA; 115126_ALDRICH |
C12H22O2 |
198.3 |
COC(=O)CCCCCCCCC=C |
|
TCMBANKIN031919 |
Ethone |
NCGC00166027-01; BRN 0605384; Orthoformic acid ethyl ester; 122-51-0; Orthomravencan ethylnaty; diethoxymethoxyethane; ZINC00391827; Ethyl orthoformate [UN2524] [Flammable liquid]; Orthoformic acid, ethyl ester; Ethyl formate(ortho); NSC5289; T60453_ALDRICH; Triethylester kyseliny orthomravenci [Czech]; Ethylester kyseliny orthomravenci; 1,1',1''-[methanetriyltris(oxy)]triethane; 304050_SIAL; Triethoxymethane; Ethane, 1,1',1''-(methylidynetris(oxy))tris-; ST5214400; 1,1',1'-(Methylidynetris(oxy))tris(ethane); InChI=1/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H; UN2524; Triethyl orthoformate; Aethon; AI3-24333; EINECS 204-550-4; 108055-42-1; 1,1,1-Triethoxymethane; Orthoformic acid triethyl ester; Orthoformic acid, triethyl ester; 4-02-00-00025 (Beilstein Handbook Reference); WLN: 2OYO2 & O2; Ethylester kyseliny orthomravenci [Czech]; Ethyl orthoformate; Ethane, 1,1',1''-[methylidynetris(oxy)]tris-; NSC 5289; 60388_RIEDEL; Orthoformic acid ethyl ester (VAN); Orthomravencan ethylnaty [Czech]; Methane, triethoxy-; 75530_FLUKA |
C7H16O3 |
148.2 g/mol |
CCOC(OCC)OCC |
|
TCMBANKIN031925 |
dichotomide,i |
|
|
339.38 |
|
|
TCMBANKIN031942 |
questinol |
1,6-Dihydroxy-3-hydroxymethyl-8-methoxyanthraquinone; 35688-09-6; omega-Hydroxymethylemodin; DTXSID50189192; Questinol_120239; Questinol; 9,10-Anthracenedione, 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-; 1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione; SCHEMBL16226232; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-dihydroanthracene-9,10-dione; CHEBI:81349; C17811; AC1L3VJY; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione; 1-Hydroxy-3-(hydroxymethyl)-6-hydroxy-8-methoxy-9,10-anthraquinone; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-anthracene-9,10-dione; 1,6-dihydroxy-8-methoxy-3-methylol-9,10-anthraquinone |
C16H12O6 |
300.26 g/mol |
COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CO)O |
|
TCMBANKIN031943 |
methylrosmarinate |
methyl rosmarinate |
C19H18O8 |
374.34 |
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
|
TCMBANKIN032001 |
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate |
ZINC02041035; [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate; acetic acid [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; acetic acid [(1S)-1,5-dimethyl-1-vinylhex-4-enyl] ester; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN032054 |
(E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one |
|
|
340.4 |
|
|
TCMBANKIN032114 |
11-Hydroxynoracronycine |
6,11-dihydroxy-3,3,12-trimethyl-7-pyrano[6,5-c]acridinone; 27067-70-5; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl- (8CI)(9CI); 6,11-dihydroxy-3,3,12-trimethyl-pyrano[6,5-c]acridin-7-one; AIDS-161807; 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl-; Alkaloid A, from Atalantia ceylanica; 11-Hydroxy-O-demethylacronine; NSC162687; AIDS161807; Alkaloid A from Atalantia ceylanica; 3,12-Dihydro-6,11-dihydroxy-3,312-trimethyl-7H-pyrano(2,3-c)acridin-7-one; NSC 162687; 6,11-dihydroxy-3,3,12-trimethylpyrano[6,5-c]acridin-7-one |
C19H17NO4 |
323.3 g/mol |
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C |
|
TCMBANKIN032133 |
2,2,4-Trimethylpentanol |
Pentanol, 2,2,4-trimethyl-; ST5409827; InChI=1/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H; 1-Pentanol, 2,2,4-trimethyl-; AI3-26041; NSC35410; 4-01-00-01795 (Beilstein Handbook Reference); 123-44-4; EINECS 204-628-8; WLN: Q1X1 & 1 & 1Y1 & 1; 1331-40-4; BRN 1697386; 2,2,4-Trimethylpentan-1-ol; NSC 35410; ZINC01667607; 2,2,4-Trimethyl-1-pentanol |
C8H18O |
130.23 g/mol |
CC(C)CC(C)(C)CO |
|
TCMBANKIN032172 |
trans,trans-2,6-Dimethyl-2,6-octadiene-1,8-diol |
2,6-Octadiene-1,8-diol, 2,6-dimethyl-, (E,Z)-; (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol; (E,Z)-2,6-Dimethyl-2,6-octadiene-1,8-diol; (2E,6E)-2,6-Dimethyl-2,6-octadiene-1,8-diol; 26488-98-2 |
C10H18O2 |
170.25 |
CC(=CCO)CCC=C(C)CO |
|
TCMBANKIN032183 |
Gentianidine |
CHEMBL2007415; AIDS132749; AKOS006327911; 6-Methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; NSC627383; 1H-Pyrano[3,4-c]pyridin-1-one,3,4-dihydro-6-methyl-; 6-methyl-3,4-dihydropyrano[4,3-d]pyridin-1-one; AIDS-132749; AC1Q6HRN; 2202/12/2; AC1L7LLL; 2202-12-2; ZINC1618969; FT-0730301; 6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; NCI60_008704; DTXSID90176485; SCHEMBL4075386; NSC-627383; 35G857GZ2P; gentianidine; 6-Methyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; UNII-35G857GZ2P; 1H-Pyrano(3,4-c)pyridin-1-one, 3,4-dihydro-6-methyl-; CTK4E8297 |
C9H9NO2 |
163.17 g/mol |
CC1=CC2=C(C=N1)C(=O)OCC2 |
|
TCMBANKIN032227 |
ETHYLNAPHTHALENE |
NSC59390; EINECS 214-432-4; 04510_FLUKA; 1127-76-0; InChI=1/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H; Naphthalene, ethyl-; 27138-19-8; 1-Ethylnaphthalene; NSC 59390; 250902_ALDRICH; WLN: L66J B2; Naphthalene, 1-ethyl-; alpha-Ethylnaphthalene; .alpha.-Ethylnaphthalene |
C12H12 |
156.22 g/mol |
CCC1=CC=CC2=CC=CC=C21 |
|
TCMBANKIN032254 |
(2S)-2,3-dihydroxypropanoic acid |
|
C3H6O4 |
106.08 |
C(C(C(=O)O)O)O |
|
TCMBANKIN032276 |
(1S,3S,4R,5S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid |
(1S,3S,4R,5S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; (1S,3S,4R,5S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid; (1S,3S,4R,5S)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid |
|
516.49 |
|
|
TCMBANKIN032302 |
dichotomide,ii |
|
|
339.38 |
|
|
TCMBANKIN032355 |
2-[(2S,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2S,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN032380 |
salicylaldoxime |
|
C7H7NO2 |
137.14 |
C1=CC=C(C(=C1)C=NO)O |
|
TCMBANKIN032381 |
Sylvestroside III_qt |
|
|
378.51 |
|
|
TCMBANKIN032447 |
1-[(2S)-1-methyl-2-piperidyl]acetone |
1-[(2S)-1-methyl-2-piperidinyl]propan-2-one; 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one; 1-[(2S)-1-methyl-2-piperidyl]propan-2-one |
C9H17NO |
155.24 |
|
|
TCMBANKIN032467 |
(1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene |
|
C9H14 |
122.21 |
|
|
TCMBANKIN032470 |
Bianfugedine |
bianfugedine; 96681-51-5; 2-Methoxy-12H-benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one; 5,6-Methylenedioxy-9-methoxy-7H-dibenzo(de,h)quinoline-7-one; 12H-Benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one, 2-methoxy- |
C18H11NO4 |
305.28 |
COC1=CC2=C(C=C1)C3=NC=CC4=CC5=C(C(=C43)C2=O)OCO5 |
|
TCMBANKIN032523 |
(1S,5R)-3,7,7-trimethylbicyclo[3.1.1]hept-3-ene |
|
|
136.26 |
|
|
TCMBANKIN032536 |
mulberroside C_qt |
|
C24H26O9 |
458.46 |
|
|
TCMBANKIN032554 |
Angustidine |
Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 8,13-dihydro-2-methyl-; DTXSID90193213; angustidine; AC1MJ37J; 40217-50-3; Angustidin |
C19H15N3O |
301.34 |
CC1=CC2=C(C=N1)C(=O)N3CCC4=C(C3=C2)NC5=CC=CC=C45 |
|
TCMBANKIN032581 |
beta-methoxylacteoside_qt |
|
|
508.52 |
|
|
TCMBANKIN032624 |
(-)-isoperitenone |
C02485; (-)-Isopiperitenone; (6R)-6-isopropenyl-3-methyl-1-cyclohex-2-enone; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H; (4R)-p-mentha-1,8-dien-3-one; (6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one; CHEBI:15408; (6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one; 6-isopropenyl-3-methylcyclohex-2-en-1-one; (-)-(4R)-Isopiperitenone; (6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one; 80995-97-7; LMPR01020030 |
C10H14O |
150.22 |
CC1=CC(=O)C(CC1)C(=C)C |
|
TCMBANKIN032653 |
Guaiol |
Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 |
C15H26O |
222.37 |
CC1CCC(CC2=C1CCC2C)C(C)(C)O |
|
TCMBANKIN032659 |
(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol |
AO-079/15259072; MLS001178744; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-ol; ZINC03197613; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-chromanol; SMR000477468 |
C19H22O6 |
346.37 |
COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC |
|
TCMBANKIN032683 |
norsanguinarine |
(1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine; Sanguinarine, 13-demethyl-; 522-30-5; 5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0;{2,10}.0;{4,8}.0;{14,22}.0;{17,21}]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene; NSC-143762; NSC 143762; 13-Demethyl-Sanguinarine; AKOS030535106; [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; 7,8-Bis(methylenedioxy)benzo[c]phenanthridine; 5157-23-3; AC1L3Z0I; AK560647; MolPort-039-338-524; 1,3-Dioxolo[i][1,3]dioxolo[4,5]benzo[1,2-c]phenanthridine; SCHEMBL16125304; ZINC1727527; [1,6-c]-1,3-dioxolo[4,5-i]phenanthridine; [1,3]Dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridine; NSC143762; 1,3-Dioxolo(i)(1,3)dioxolo(4,5)benzo(1,2-c)phenanthridine; 1,3]dioxolo[4,5]benzo[1,2-c]phenanthridine; AC1Q4WKG; CNXVDVMAYXLWPD-UHFFFAOYSA-N; Norsanguinarine |
C19H11NO4 |
317.29 |
C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6 |
|
TCMBANKIN032689 |
Eseramine |
UNII-PE4VD738WT; AC1MJ1L1; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester; BDBM50022773; [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate; 6091-57-2; (3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide; C09170; CHEMBL77799; eseramine; PE4VD738WT; Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)-; Methyl-carbamic acid 3a,8-dimethyl-1-methylcarbamoyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester; [(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate |
C16H22N4O3 |
318.37 |
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC |
|
TCMBANKIN032706 |
picriside B_qt |
|
C54H94N22O16 |
1307.46 |
|
|
TCMBANKIN032712 |
(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-; InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
C10H14O2 |
166.22 |
CC1CCC2=C(C(=O)OC2C1)C |
|
TCMBANKIN032729 |
3,3-dimethyl-2,4-dihydropyrazole |
5,5-Dimethyl-.DELTA.[2]-pyrazoline; 1H-Pyrazole, 4,5-dihydro-5,5-dimethyl- |
C5H10N2 |
98.15 g/mol |
CC1(CC=NN1)C |
|
TCMBANKIN032734 |
Picroside II_qt |
|
C23H28O13 |
512.46 |
|
|
TCMBANKIN032818 |
cyclo-(val-tyr) |
|
C14H18N2O3 |
262.3 g/mol |
CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O |
|
TCMBANKIN032898 |
licochalcone G |
|
C21H22O5 |
354.4 g/mol |
CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)OC)O |
|
TCMBANKIN032920 |
isolinderoxide |
isolind-eroxide |
C16H20O2 |
244.33 |
CC1=C2CC3=C(CC2C4C1C4)OC=C3COC |
|
TCMBANKIN032948 |
isomartynoside_qt |
|
C31H40O15 |
652.64 |
|
|
TCMBANKIN032964 |
alpha-methyl-n-butylshikonin |
|
C21H28O5 |
360.4 g/mol |
CCCCC1(C(C(=O)C2=C(C=CC(=C2C1=O)O)O)C)C(CC=C(C)C)O |
|
TCMBANKIN032982 |
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid |
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid |
|
358.32 |
|
|
TCMBANKIN032984 |
1,8-dihydroxy-3-methoxy-2,6-dimethyl-9,10-anthraquinone |
1,8-dihydroxy-3-methoxy-2,6-dimethylanthracene-9,10-dione; 1,8-dihydroxy-3-methoxy-2,6-dimethyl-anthracene-9,10-dione |
|
298.31 |
|
|
TCMBANKIN032991 |
(-)-(7R,8S)-Dihydrodehydrodiconiferyl alcohol |
4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol; AIDS-227001; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol; 4-[(2R,3S)-5-(3-hydroxypropyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol; (-)-5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-; AIDS227001; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol |
C20H24O6 |
360.4 |
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO |
|
TCMBANKIN033042 |
kakkatin |
|
C16H12O5 |
284.26 |
COC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN033093 |
dihydroisotanshinoneⅠ |
|
278.32 |
20.912695 |
|
|
TCMBANKIN033153 |
3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin |
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(2-methylbut-3-en-2-yl)chromen-2-one; 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-chromen-2-one; 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-2-chromenone |
|
368.41 |
|
|
TCMBANKIN033161 |
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene |
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxy-benzene |
|
416.56 |
|
|
TCMBANKIN033165 |
2-Methylpenta-1,3-diene |
EINECS 214-264-1; 1,3-pentadiene, 2-methyl-, (3E)-; 1,3-Pentadiene, 2-methyl-, (E)-; EINECS 213-136-2; (E)-CH2=C(CH3)CH=CHCH3; 926-54-5; 2,4-Dimethyl-1,3-butadiene; NSC 123452; InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4; trans-2-Methylpenta-1,3-diene; 1118-58-7; 1,3-Pentadiene, 2-methyl-; 2-METHYL-1,3-PENTADIENE; NSC123452; 1,3-Dimethyl-1,3-butadiene; (3E)-2-methylpenta-1,3-diene |
C6H10 |
82.14 |
CC=CC(=C)C |
|
TCMBANKIN033170 |
(2R,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-benzyl)oxy-6-methylol-tetrahydropyran-3,4,5-triol |
(2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxyphenyl)methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxy-phenyl)methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxy-phenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
C14H20O8 |
316.3 g/mol |
COC1=C(C=CC(=C1)COC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN033217 |
Allyl isopropyl sulfide |
3-isopropylsulfanylprop-1-ene; ZINC02560567; 1-Propene, 3-[(1-methylethyl)thio]-; 3-propan-2-ylsulfanylprop-1-ene; 3-(isopropylthio)prop-1-ene; 3-[(1-Methylethyl)thio]-1-propene |
C6H12S |
116.23 g/mol |
CC(C)SCC=C |
|
TCMBANKIN033218 |
Eurycarpin A |
eurycarpin a; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-chromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-chromone; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-4-chromenone |
C20H18O5 |
338.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)C2=COC3=C(C2=O)C=CC(=C3)O)O)C |
|
TCMBANKIN033221 |
3'-O-Methylorobol |
5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromone; 3'-o-methylorobol |
C16H12O6 |
300.26 |
COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
TCMBANKIN033235 |
Inositol-b |
inositol-b |
C6H12O6 |
180.16 |
|
|
TCMBANKIN033292 |
3-(2-propenyl)-cyclooctene |
|
C11H18 |
150.26 |
C=CCC1CCCCCC=C1 |
|
TCMBANKIN033356 |
Isohomoarbutin |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)tetrahydropyran-3,4,5-triol; isohomoarbutin; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-phenoxy)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-phenoxy)oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-(4-hydroxy-2-methyl-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol |
C13H18O7 |
286.28 |
CC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN033378 |
cirsilneol |
2-N-propyl-1,3-dioxolane; CHEMBL458269 |
C18H16O6 |
328.3 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)O |
|
TCMBANKIN033379 |
(E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone |
(E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone |
|
297.33 |
|
|
TCMBANKIN033394 |
DUC |
5,6-dihydrouracil; dihydrouracil; A2439/0103396; 5,6-Dihydro-2,4(1H,3H)-pyrimidinedione; 1,3-diazinane-2,4-dione; 504-07-4; C03919; CHEBI:15901; NSC 11867; C00429; Hydrouracil (8CI); ZINC00895228; 5,6-Dihydro-2,4-dihydroxypyrimidine; NSC11867; Hydrouracil; 3,4-DIHYDROURACIL; 2,4(1H,3H)-Pyrimidinedione, dihydro-; AI3-50443; DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE; DI-H-URACIL; Hydrouracil (6CI,8CI); AIDS-081842; EINECS 207-982-1; 4,5-dihydrouracil; Dihydrouracile; AIDS081842; hexahydropyrimidine-2,4-dione; FR-0140; 2,4-Dioxotetrahydropyrimidine; 2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI); D7628_SIGMA |
C4H6N2O2 |
114.1 |
C1CNC(=O)NC1=O |
|
TCMBANKIN033411 |
Trans-ionone |
|
|
192.33 |
|
|
TCMBANKIN033428 |
1-hydroxy-2, 3, 5-trimethoxyxanthone |
1-Htmx; 1-hydroxy-2,3,5-trimethoxy-9-xanthenone; 1-hydroxy-2,3,5-trimethoxyxanthen-9-one; 1-Hydroxy-2,3,5-trimethoxyxanthene; 9H-Xanthen-9-one, 1-hydroxy-2,3,5-trimethoxy-; 1-Hydroxy-2,3,5-trimethoxyxanthone; 1-hydroxy-2,3,5-trimethoxyxanthone; 22804-49-5; 1-hydroxy-2,3,5-trimethoxy-xanthen-9-one; Xanthone, 1-hydroxy-2,3,5-trimethoxy-; 1-hydroxy-2,3,5-trimethoxy-xanthone; 1-Hydroxy-2,3,5-trimethoxy xanthone |
C16H14O6 |
302.28 |
COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2)O)OC)OC |
|
TCMBANKIN033471 |
ZINC01690417 |
(3R)-hexan-3-ol |
C6H14O |
102.17 |
|
|
TCMBANKIN033482 |
Quinicine |
quinicine |
C20H24N2O2 |
324.4 g/mol |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN033495 |
shionoside A_qt |
|
|
154.28 |
|
|
TCMBANKIN033547 |
Medilla |
BRN 0142217; 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran; NCGC00016345-01; Cholonerton; 7-hydroxy-4-methyl-coumarin; Prestwick2_000901; Hymecromonum [INN-Latin]; CAS-90-33-5; C03081; NCI60_042099; 7-hydroxy-4-methyl-chromen-2-one; AI3-08085; CCRIS 5926; Cholestil; 4-Methylumbelliferon [Czech]; BSPBio_000742; ACon1_002401; Imecromone; NSC9408; NSC 9408; LM-94; Hymecromone [USAN:INN:JAN]; Cumarote-C; 7-Hydroxy-4-methylcoumarin; Hymecromone (JP15/USAN/INN); 7-hydroxy-4-methyl-2-chromenone; Bilicante; M1381_SIGMA; D00170; Omega 127; Bilcolic; 7-hydroxy-4-methyl-2H-chromen-2-one; ZINC00058121; CPD-182; NSC19026; BPBio1_000818; Cantabiline (TN); SPBio_002941; MEGxp0_001898; 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-; Crodimon; AIDS-018190; AIDS018190; Eurogale; 4-Methyl-7-hydroxycoumarin; NSC 19026; 4-Methylumbelliferon; SR-01000637483-1; beta-Methylumbelliferone; SMR000471886; Cantabiline; WLN: T66 BOVJ E1 IQ; 4-MU; 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-; Coumarin 4; Cantabilin; LM 94; Prestwick0_000901; MLS001074671; Himecromona [INN-Spanish]; .beta.-Methylumbelliferone; 4-methylumbelliferone; 56275-29-7; 4-Methyl-umbelliferone; 7-Hydroxy-4-methyl-2H-2-chromenone; CHEBI:17224; Pilot 447; Prestwick1_000901; Maybridge1_002078; 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-; 7-hydroxy-4-methylchromen-2-one; 5-18-01-00439 (Beilstein Handbook Reference); nchembio.2007.28-comp4; METHYLUMBELLIFERONE, BETA; Coumarin, 7-hydroxy-4-methyl-; Hymecromon; Hymecromone; 69580_FLUKA; EINECS 201-986-7; Imecromone [DCIT]; SBB009085; Prestwick3_000901; Mendiaxon; 90-33-5 |
C10H8O3 |
176.17 |
CC1=CC(=O)OC2=C1C=CC(=C2)O |
|
TCMBANKIN033577 |
ZINC02571348 |
(3S)-non-1-en-3-ol |
C9H18O |
142.24 |
|
|
TCMBANKIN033625 |
2,4,6-Trimethylanisole |
2-methoxy-1,3,5-trimethylbenzene; 2-methoxy-1,3,5-trimethyl-benzene; Benzene, 2-methoxy-1,3,5-trimethyl-; Anisole, 2,4,6-trimethyl-; 4028-66-4; ZINC02598023 |
C10H14O |
150.22 |
CC1=CC(=C(C(=C1)C)OC)C |
|
TCMBANKIN033630 |
(-)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
400.51 |
|
|
TCMBANKIN033653 |
cimicifugic acid |
|
C21H20O11 |
448.4 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O |
|
TCMBANKIN033656 |
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one |
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-6-chromenyl)prop-2-en-1-one |
|
322.38 |
|
|
TCMBANKIN033679 |
Glepidotin B |
87440-56-0; C09753; glepidotin b; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromanone; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchroman-4-one |
C20H20O5 |
340.37 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=CC=C3)O)C |
|
TCMBANKIN033696 |
7-methoxy-5,4'-dihydroxyflavanonol |
|
|
302.3 |
|
|
TCMBANKIN033702 |
citric acid |
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 |
C6H8O7 |
192.12 |
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|
TCMBANKIN033764 |
(2R)-3-[3-(5-allyl-2-hydroxyphenyl)-4-hydroxyphenyl]propane-1,2-diol |
(2R)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enyl-phenyl)phenyl]propane-1,2-diol; (2R)-3-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol; (2R)-3-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]propane-1,2-diol |
C18H20O4 |
300.35 |
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC(CO)O)O |
|
TCMBANKIN033767 |
1-methyl-2-[(Z)-pentadec-10-enyl]-4-quinolone |
1-methyl-2-[(Z)-pentadec-10-enyl]quinolin-4-one; 1-methyl-2-[(Z)-pentadec-10-enyl]-4-quinolinone; 1-Methyl-2-[(Z)-10-pentadecenyl]-4-(1H)-quinolone |
|
367.63 |
|
|
TCMBANKIN033799 |
phosphonofluoridic acid,(l-methylethyl)-,cyclohexyl ester |
|
|
208.24 |
|
|
TCMBANKIN033809 |
Gancaonin H |
5,7,8'-Trihydroxy-2',2'-dimethyl-6-(3-methyl-but-2-enyl)-2'H-(3,6')bi(1-benzopyranyl)-4-one; 126716-35-6; AIDS095922; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-6-chromenyl)-6-(3-methylbut-2-enyl)-4-chromenone; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)-6-(3-methylbut-2-enyl)chromone; 5,7,8'-Trihydroxy-2',2'-dimethyl-6-(3-methyl-but-2-enyl)-2'H-[3,6']bi[1-benzopyranyl]-4-one; AIDS-095922; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one |
C25H24O6 |
420.45 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)O)C |
|
TCMBANKIN033810 |
1-Cyclohexene-1-propanol,a,2,6,6-tetramethyl |
|
C13H24O |
196.33 |
|
|
TCMBANKIN033834 |
Pyrocinchonic anhydride |
Maleic anhydride, dimethyl-; 766-39-2; WLN: T5VOVJ D1 E1; HSDB 5517; 3,4-dimethylfuran-2,5-quinone; D167800_ALDRICH; alpha,beta-Dimethylmaleic anhydride; .alpha.,.beta.-Dimethylmaleic anhydride; EINECS 212-165-8; Dimethylmaleic anhydride; 40750_FLUKA; NSC92512; 3,4-dimethylfuran-2,5-dione; 2,3-DIMETHYLMALEIC ANHYDRIDE; Dimethylmaleic acid anhydride; InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H; NSC 92512; 2,5-Furandione, 3,4-dimethyl- |
C6H6O3 |
126.11 |
CC1=C(C(=O)OC1=O)C |
|
TCMBANKIN033867 |
Isocalamendiol |
isocalamendiol |
C15H26O2 |
238.37 |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN033885 |
Chrysin-5-methylether |
7-hydroxy-5-methoxy-2-phenyl-chromen-4-one; 33554-47-1; 7-hydroxy-5-methoxy-2-phenyl-chromone; 7-hydroxy-5-methoxy-2-phenylchromen-4-one; 7-hydroxy-5-methoxy-2-phenyl-4-chromenone |
C16H12O4 |
268.26 |
COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O |
|
TCMBANKIN033903 |
cis-3-Hexenyl butyrate |
3-Hexenyl butanoate, cis-; cis-Butyric acid, 3-hexenyl ester; cis-3-Hexen-1-yl butyrate; 3-Hexenyl butyrate, cis-; butanoic acid [(Z)-hex-3-enyl] ester; AI3-33202; 3-Hexenyl butanoate, (Z)-; W340200_ALDRICH; Butyric acid, 3-hexenyl ester, (Z)-; 3-Hexenyl butyrate, (Z)-; Butanoic acid, 3-hexenyl ester, (Z)-; [(Z)-hex-3-enyl] butanoate; (Z)-3-hexenyl butyrate; cis-3-Hexenyl butyrate (natural); butyric acid [(Z)-hex-3-enyl] ester; (Z)-Hex-3-enyl butyrate; Butanoic acid, (3Z)-3-hexenyl ester; beta,gamma-Hexenyl butyrate; 16491-36-4; EINECS 240-553-7; FEMA No. 3402 |
C10H18O2 |
170.25 |
CCCC(=O)OCCC=CCC |
|
TCMBANKIN033905 |
Ermanin |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-; MEGxp0_000250; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one; ZINC01664047; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-chromenone; AIDS-001405; 5,7-Dihydroxy-3,4'-dimethoxyflavone; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromone; AIDS001405; 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; Kaempferol-3,4'-dimethylether; NSC31882; 20869-95-8; Chrysin, 3,4'-dimethoxy-; EINECS 244-093-8; NCI60_002742; NSC 31882; 3,4'-Dimethoxychrysin |
C17H14O6 |
314.29 |
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC |
|
TCMBANKIN033914 |
carvenone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=CC1=O)C(C)C |
|
TCMBANKIN033976 |
(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one |
157414-03-4 |
C25H26O4 |
390.47 |
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C |
|
TCMBANKIN033980 |
Levamfetamine |
Levamfetamina [DCIT]; Levamphetamine; [(1R)-1-methyl-2-phenyl-ethyl]amine; CHEBI:42724; (R)-alpha-Methylbenzeneethanamine; PDSP2_001494; (R)-Amphetamine; EINECS 205-850-8; (2R)-1-phenylpropan-2-amine; L-Amphetamine; Phenethylamine, alpha-methyl-, (-)-; (-)-Phenylisopropylamine; Levamphetaminum; l-(R)-Amphetamine; Levamfetaminum [INN-Latin]; Benzeneethanamine, alpha-methyl-, (R)- (9CI); (R)-alpha-Methylphenethylamine; l-alpha-Methylphenethylamine; Levanfetamina [INN-Spanish]; PDSP1_001510; (-)-alpha-Methylphenethylamine; (-)-Amphetamine; 156-34-3 |
C9H13N |
135.21 |
CC(CC1=CC=CC=C1)N |
|
TCMBANKIN034014 |
Ferulic acid-β-D-glucoside |
|
|
356.36 |
|
|
TCMBANKIN034029 |
7β,15β- dihydroxypregn-4-ene-3,16-dione |
|
|
344.54 |
|
|
TCMBANKIN034049 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate |
2-methylpropanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; 2-methylpropionic acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate |
|
358.42 |
|
|
TCMBANKIN034051 |
β-cadinol |
|
|
222.41 |
|
|
TCMBANKIN034062 |
()-p-Mentha-2,8-diene |
(3R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6R)-3-isopropenyl-6-methyl-cyclohexene; (3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene; 58923_FLUKA; 5113-87-1; (1R)-()-trans-Isolimonene; (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene; (3R,6R)-3-isopropenyl-6-methylcyclohexene; EINECS 225-843-3 |
C10H16 |
136.23 |
CC1CCC(C=C1)C(=C)C |
|
TCMBANKIN034135 |
cis-Zimtsaeure |
CHEBI:35699; cis-beta-carboxystyrene; (Z)-3-Phenyl-2-propenoic acid; (Z)-3-phenylprop-2-enoic acid; (2Z)-3-phenylprop-2-enoic acid; (2Z)-3-phenyl-2-propenoic acid; (2Z)-3-phenylacrylic acid; (Z)-3-phenylacrylic acid |
C9H8O2 |
148.16 |
C1=CC=C(C=C1)C=CC(=O)O |
|
TCMBANKIN034170 |
(1S,6R)-6-isopropyl-3-methyl-1-cyclohex-3-enol |
(1S,6R)-3-methyl-6-propan-2-ylcyclohex-3-en-1-ol; (1S,6R)-3-methyl-6-propan-2-yl-cyclohex-3-en-1-ol; (1S,6R)-6-isopropyl-3-methyl-cyclohex-3-en-1-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN034198 |
acetic acid |
AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 |
C5H10O3 |
118.13 |
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
|
TCMBANKIN034206 |
4',5',7-trimethyl-3-methoxyflavone |
|
|
294.37 |
|
|
TCMBANKIN034208 |
herbacetin-8-O-α-D-lyxopyranoside |
|
|
434.38 |
|
|
TCMBANKIN034214 |
ranunculin |
644-69-9; (5S)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5H-furan-2-one; C08512; (5S)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5H-furan-2-one; (5S)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5H-furan-2-one; (5S)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-5H-furan-2-one; Ranunculin |
C11H16O8 |
276.24 g/mol |
C1=CC(=O)OC1COC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN034247 |
(4aR,8aS)-7-isopropylidene-4a-methyl-1-methylenedecalin |
(4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene; (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylene-decalin |
C15H24 |
204.35 |
|
|
TCMBANKIN034266 |
(1S,2S,5R,7R)-8-azabicyclo[3.2.1]octane-2,7-diol |
|
C7H13NO2 |
143.18 |
|
|
TCMBANKIN034275 |
daucene |
6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene; Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-; 1-ISOPROPYL-3A,6-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-AZULENE; MGMBZNCFUFRSSP-UHFFFAOYSA-N; 16661-00-0; AC1L42YA; 3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene; Dauca-4,8-diene (Daucene); Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-; 6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene; Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-; Daucene |
C40H56 |
536.87 |
CC1=CCC2(CCC(=C2CC1)C(C)C)C |
|
TCMBANKIN034284 |
dan-shexinkum a |
|
|
296.34 |
|
|
TCMBANKIN034288 |
ZINC01680040 |
(3R)-non-1-en-3-ol |
|
142.27 |
|
|
TCMBANKIN034301 |
o-Isovalerylcolum bianetin |
AC1NSX6O; HMS3328P11; o-isovalerylcolum bianetin; MCULE-8769481672; NP-015797; 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbutanoate |
C19H22O5 |
330.4 g/mol |
CC(C)CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN034324 |
kanzonols W |
|
|
336.36 |
|
|
TCMBANKIN034336 |
sanggenone F |
|
C20H18O6 |
354.35 |
|
|
TCMBANKIN034340 |
HPN |
Heptamide; Heptanamide; Enanthamide; NSC3819; Enanthic acid amide; 628-62-6 |
C7H15NO |
129.2 |
CCCCCCC(=O)N |
|
TCMBANKIN034352 |
(1S,4aS,8aR)-1-methyldecalin-2-one |
(1S,4aS,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one; (1S,4aS,8aR)-1-methyl-2-decalinone |
C11H18O |
166.26 |
|
|
TCMBANKIN034376 |
3-methyl-bycyclo[2.2.2.]octanone |
|
C9H14O |
138.21 |
|
|
TCMBANKIN034407 |
8-azabicyclo[5.1.0]octane |
|
C7H13N |
111.18 |
C1CCC2C(N2)CC1 |
|
TCMBANKIN034419 |
kadsurin |
Kadsurin; 51670-40-7; [tetramethoxy(dimethyl)[?]yl] acetate; Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-8-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, acetate, stereoisomer (VAN) |
C25H30O8 |
458.5 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)OC)OC)OC |
|
TCMBANKIN034444 |
HEPTENE |
HSDB 1078; 51856_FLUKA; EINECS 246-871-2; n-Heptene [UN2278] [Flammable liquid]; UN2278; 592-76-7; 262269_ALDRICH; 442267U_SUPELCO; EINECS 209-767-8; NSC74130; H3208_ALDRICH; 1-Heptene; hept-1-ene; Heptylene; 68526-53-4; Alkenes, C6-8, C7-rich; EINECS 271-209-4; 1-n-Heptene; 25339-56-4; n-Hept-1-ene; NSC 74130; Heptene (petroleum); Heptene (mixed cis and trans) |
C7H14 |
98.19 g/mol |
CCCCCC=C |
|
TCMBANKIN034460 |
cyclohexane,1,1,2,3-tetramethyl- |
|
C10H20 |
140.27 |
CC1CCCC(C1C)(C)C |
|
TCMBANKIN034461 |
Cyclodecene, 1-methyl- |
cis-Cyclodecene, 1-methyl-; (1Z)-1-methylcyclodecene; 1-Methyl-1-cyclodecene |
C11H20 |
152.28 g/mol |
CC1=CCCCCCCCC1 |
|
TCMBANKIN034493 |
AIDS045703 |
(5aR,8aS,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; AIDS-045703; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aS,8aR)- |
C22H22O8 |
414.41 |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O |
|
TCMBANKIN034516 |
2-Methylheptan-3-one |
2-Methyl-3-heptanone; 103128_ALDRICH; 13019-20-0; W400009_ALDRICH; EINECS 235-877-0; NSC 21978; Butyl isopropyl ketone; NSC21978; 3-Heptanone, 2-methyl-; 3-Heptanone, 2-methyl- (8CI)(9CI) |
C8H16O |
128.21 |
CCCCC(=O)C(C)C |
|
TCMBANKIN034530 |
vitamin E-delta |
|
|
402.73 |
|
|
TCMBANKIN034546 |
(-)-Phillygenin |
|
C21H24O6 |
372.41 |
|
|
TCMBANKIN034552 |
Daechuine S7 |
|
|
514.74 |
|
|
TCMBANKIN034575 |
Inermin |
C16229; (+)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, cis-(+-)-; 38822-02-5; 6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol; 19908-48-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN034668 |
Nonanol |
CAS-3452-97-9; 4-01-00-01798 (Beilstein Handbook Reference); Tox21_303600; 3,5,5-Trimethylhexyl alcohol; W278904_ALDRICH; i-Nonyl alcohol; 1-Hydroxynonane; Trimethylhexyl alcohol (Related); NSC83151; AI3-03962; F09; Pelargonalkohol; W-109141; nonanol; 74278_FLUKA; 74280_FLUKA; C14696; n-Nonan-1-ol; 3,5,5-trimethyl hexanol; 1-Nonanol; FEMA No. 2789; 3,5,5-Trimethyl n-hexanol; DSSTox_CID_9661; FEMA No. 3324; KB-234071; Nonalol; 143-08-8; Nonan-1-ol; WLN: Q9; NCGC00249200-01; Tox21_202260; Trimethyl-1-hexanol (Related); NSC 97226; EC 222-376-7; 201404-81-1; 3,5,5-Trimethyl-hexan-1-ol; AC1L2D4F; EINECS 205-583-7; BRN 0969213; 3,5,5-TRIMETHYL-1-HEXANOL, TECH; Fatty alcohol(C9); TC-116634; 3,5-Trimethylhexanol; InChI=1/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H; DSSTox_RID_78799; DSSTox_GSID_29661; CHEBI:35986; AN-20219; 3452-97-9; NSC-83151; 1-Hexanol, 3,5,5-trimethyl-; NCGC00259809-01; 3,5,5-Trimethyl-1-hexanol, technical grade, 85%; (+/-)-3,5,5-Trimethyl-1-hexanol; HSDB 5145; NSC 5521; C9 alcohol; ANW-27889; Nonylol; AC1Q1R2G; AKOS009156969; 1-Hexanol,5,5-trimethyl-; I14-18838; 1-Hexanol,3,5,5-trimethyl-; 28473-21-4; MolPort-001-793-322; Nonylalkohol; Pelargonic alcohol; n-Nonyl alcohol; Trimethylhexyl alcohol; ACMC-1CT00; 3,5,5-Trimethyl-1-hexanol; AI3-22142; BODRLKRKPXBDBN-UHFFFAOYSA-N; NSC 83151; InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H; CTK4H2542; EPA Pesticide Chemical Code 492200; EINECS 222-376-7; 3,5,5 trimethyl hexanol; NCGC00257325-01; Alcohol C-9; NSC-97226; DS-6469; 3,5,5-Trimethyl-1-hexanol, >=85%; X6899; FT-0614410; ST24041166; AK129854; 3,5,5-Trimethylhexan-1-ol; LMFA05000625; NSC5521; CHEMBL3187919; NCIOpen2_001207; 140237-16-7; n-Nonanol; DTXSID7029661; Octyl carbinol; NSC97226; 131210_ALDRICH; 3,5-Trimethyl-1-hexanol; Nonyl alcohol; 3,5,5-Trimethylhexanol; SCHEMBL21394; EINECS 249-048-6; MFCD00036138; Caswell No. 892A |
C9H20O |
144.25 |
CC(CCO)CC(C)(C)C |
|
TCMBANKIN034682 |
cynanversicoside g_qt 1 |
|
|
162.21 |
|
|
TCMBANKIN034686 |
[(2R)-2,3-dihydroxypropyl] acetate |
acetic acid [(2R)-2,3-dihydroxypropyl] ester; ZINC02015933; [(2R)-2,3-dihydroxypropyl] ethanoate |
|
134.15 |
|
|
TCMBANKIN034713 |
ZINC02031653 |
558036_ALDRICH; (2R)-pent-4-en-2-ol; (R)-(−)-4-Penten-2-ol |
C5H10O |
86.13 |
CC(CC=C)O |
|
TCMBANKIN034768 |
isocorynantheic acid |
|
|
352.47 |
|
|
TCMBANKIN034769 |
nubigenol |
5,7,4'-trihydroxy-3α-hydroxydihy-droehalcone |
C15H14O6 |
290.27 |
C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2O)O)O)O)O |
|
TCMBANKIN034808 |
beta-D-arabinopyranose |
ZINC01532588; CHEBI:46996; (2R,3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol; (2R,3S,4R,5R)-oxane-2,3,4,5-tetrol |
C5H10O5 |
150.13 |
C1C(C(C(C(O1)O)O)O)O |
|
TCMBANKIN034811 |
(1R,10R)-epoxy-1,10-dihydrocurdione |
|
|
252.39 |
|
|
TCMBANKIN034837 |
corycavine |
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one; BG01348418; NSC123402; BRD-A25851298-001-01-3; NSC 123402; C-54667; WOLWLEQYUFDNTA-UHFFFAOYSA-N; 521-87-9; NCI60_000225; AC1Q6P90; Ambap521-85-7; 7,16-Dimethyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (R)-; Corycavamine, (+/-)-; 2,15-DIMETHYL-7,9,19,21-TETRAOXA-15-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(2)]TETRACOSA-1(24),4,6(10),11,17,22-HEXAEN-3-ONE; AKOS000277068; ACon1_002262; ACM521857; NSC-123402; CORYCAVINE; Dibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-; AC1L5J6U; 7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one # |
C21H21NO5 |
367.4 |
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5 |
|
TCMBANKIN034846 |
2-methyl-5-propylfuran |
2-methyl-5-propyl-furan |
C8H12O |
124.18 g/mol |
CCCC1=CC=C(O1)C |
|
TCMBANKIN034855 |
[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate |
acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ester; [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ethanoate; acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)-2-oxiranyl]methyl ester |
C12H20O3 |
212.29 |
|
|
TCMBANKIN034864 |
(+)(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxy-phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
402.48 |
|
|
TCMBANKIN034931 |
Narcotoline |
3-(4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one; 6-Methyl-4-hydroxy-5,6,7,8-tetrahydro-5-(3-oxo-4,5-dimethoxy-1,3-dihydroisobenzofuran-1-yl)-1,3-dioxolo[4,5-g]isoquinoline; AC1MRPAC; narcotoline |
C21H21NO7 |
399.39 |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
|
TCMBANKIN034935 |
moracin O |
moracin o |
C19H18O5 |
326.34 |
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O |
|
TCMBANKIN034970 |
2-methyl-5-(1-methylethylidene)-cyclo-hexanone |
|
C10H16O |
152.23 |
|
|
TCMBANKIN034971 |
(3R)-3-phenylbutanal |
(3R)-3-phenylbutyraldehyde |
C10H12O |
148.2 |
CC(CC=O)C1=CC=CC=C1 |
|
TCMBANKIN035035 |
epsilon-Cadinene |
AC1NST8E; (4aR)-4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene; epsilon-cadinene |
C15H24 |
204.35 g/mol |
CC(C)C1CCC(=C)C2C1CC(=C)CC2 |
|
TCMBANKIN035044 |
sophoradochromene |
LMPK12120081; 23057-58-1; AC1NT0H0; Sophoradochromene; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)-6-chromenyl]prop-2-en-1-one |
C30H34O4 |
458.6 g/mol |
CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=CC(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C |
|
TCMBANKIN035048 |
MNN |
(S)-(-)-mandelonitrile; (-)-mandelonitrile; InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10; (2S)-2-hydroxy-2-phenylacetonitrile; (S)-Mandelonitrile; (2S)-hydroxy(phenyl)acetonitrile; CHEBI:36941; l-mandelonitrile; (S)-Benzaldehyde cyanohydrin; (S)-MANDELIC ACID NITRILE; (2S)-2-hydroxy-2-phenyl-acetonitrile; (S)-HYDROXY(PHENYL)ACETONITRILE; C02615; (2S)-2-hydroxy-2-phenyl-ethanenitrile |
C14H17NO6 |
295.29 |
C1=CC=C(C=C1)C(C#N)O |
|
TCMBANKIN035051 |
1-Deoxyeucommiol |
1-deoxyeucommiol; 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol; 2-[(1R)-2,3-bis(hydroxymethyl)-1-cyclopent-2-enyl]ethanol; 2-[(1R)-2,3-dimethylol-1-cyclopent-2-enyl]ethanol; AC1NSUE9 |
C9H16O3 |
172.22 g/mol |
C1CC(=C(C1CCO)CO)CO |
|
TCMBANKIN035052 |
(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine |
ZINC00155720 |
C8H10N2 |
134.18 |
|
|
TCMBANKIN035085 |
neohesperidin |
13241-33-3; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one; 4h-1-benzopyran-4-one,2,3-dihydro-7-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-bet; C09806; (S)-4'-Methoxy-3′,5,7-trihydroxyflavanone-7-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]; N1887_SIGMA; AC-7971; Hesperetin 7-O-neohesperidoside; Neohesperidin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; AKOS015965187; SMP1_000209 |
C28H34O15 |
610.6 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
|
TCMBANKIN035091 |
trans,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN035097 |
1-Methyl-4-isoallyl-cyclohexane |
1-methyl-4-[(E)-prop-1-enyl]cyclohexane; 1-methyl-4-isoallyl-cyclohexane; AC1NSYG7 |
C10H18 |
138.28 |
CC=CC1CCC(CC1)C |
|
TCMBANKIN035115 |
cubebininolide |
|
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC |
|
TCMBANKIN035149 |
γ-tocopheryl acetate |
|
C28H48O2 |
416.68 |
|
|
TCMBANKIN035160 |
O-acetyl-α-boswellic acid |
|
|
498.82 |
|
|
TCMBANKIN035163 |
8-oxabicyclo[5.1.0]octane |
(1S,7R)-8-oxabicyclo[5.1.0]octane; InChI=1/C7H12O/c1-2-4-6-7(8-6)5-3-1/h6-7H,1-5H |
C7H12O |
112.17 |
C1CCC2C(O2)CC1 |
|
TCMBANKIN035201 |
1,4-Di(p-tolyl)-trans-2-buten-1,4-dione |
SMR000348978; NSC29008; 6N-770; ZINC00455623; (E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; Bionet2_000363; 5465-41-8; (2E)-1,4-Bis(4-methylphenyl)-2-butene-1,4-dione; 1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; MLS001005669 |
C18H16O2 |
264.32 |
CC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=C(C=C2)C |
|
TCMBANKIN035221 |
4-((1-ethoxy-2-hydroxy)ethyl)phenol |
|
|
182.24 |
|
|
TCMBANKIN035244 |
scabrans G5_qt |
scabrans G4_qt; gentiopicrin_qt; gentiopicroside_qt; scabrans G3_qt |
C16H20O9 |
356.32 |
|
|
TCMBANKIN035262 |
1-hydroxy-2-hydroxymethy-3-methoxyanthraquinine |
|
|
300.28 |
|
|
TCMBANKIN035301 |
2,3-dimethyl-1-pentene |
|
C7H14 |
98.19 |
CCC(C)C(=C)C |
|
TCMBANKIN035353 |
N-Methylhomoveratrylamine |
NSC 187772; 2-(3,4-dimethoxyphenyl)-N-methylethanamine; BB_SC-2885; 2-(3,4-dimethoxyphenyl)ethyl-methyl-amine; EINECS 222-483-9; MLS000516034; 3,4-Dimethoxy-N-methylphenethylamine; 3490-06-0; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; AE-641/00586031; Benzeneethanamine, 3,4-dimethoxy-N-methyl-; NSC187772; SMR000112502; 334774_ALDRICH |
C11H17NO2 |
195.26 |
CNCCC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN035360 |
o-Amino-N-methylbenzamide |
4141-08-6; NSC207861; CV2311670; ALD-N012072; AQ-360/40271990; ZINC00294877; 2-Amino-N-methylbenzamide; SDCCGMLS-0064579.P001; ARONIS011055; Benzamide, o-amino-N-methyl-; 2-amino-N-methyl-benzamide; Oprea1_113871 |
C8H10N2O |
150.18 g/mol |
CNC(=O)C1=CC=CC=C1N |
|
TCMBANKIN035361 |
1-Vinylcyclohexanol |
1-Vinylcyclohexan-1-ol; BRN 1305659; NCIOpen2_003732; NSC 62184; EINECS 217-718-7; 1-Vinyl cyclohexanol; 1-Vinylcyclohexyl alcohol; 1-Ethenyl-cyclohexanol(9CI); Cyclohexanol, 1-vinyl-; 1-ethenylcyclohexan-1-ol; AI3-25140; 1-Vinyl-cyclohexanol-(1) [German]; ghl.PD_Mitscher_leg0.953; 4-06-00-00222 (Beilstein Handbook Reference); 1940-19-8; 556084_ALDRICH; 1-vinyl-1-cyclohexanol; Cyclohexanol, 1-ethenyl-; NSC62184 |
C8H14O |
126.2 |
C=CC1(CCCCC1)O |
|
TCMBANKIN035365 |
cis-p-2,8-Menthadien-1-ol |
1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN035368 |
(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
ZINC00968031; InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H; (1S,5R)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde; ST5308423 |
C10H16O |
152.23 |
|
|
TCMBANKIN035425 |
andrographidine F_qt |
|
|
374.37 |
|
|
TCMBANKIN035455 |
Methyl 3-methyl-2-pentenoate |
(E)-3-methylpent-2-enoic acid methyl ester; methyl (E)-3-methylpent-2-enoate; 2-Pentenoic acid, 3-methyl-, methyl ester |
C7H12O2 |
128.17 g/mol |
CCC(=CC(=O)OC)C |
|
TCMBANKIN035483 |
(1R)-6,7-dimethoxy-1-(4-methoxybenzyl)-2-methyl-3,4-dihydro-1H-isoquinoline |
(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline; Oprea1_382771 |
C20H25NO3 |
327.42 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC |
|
TCMBANKIN035493 |
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-5-yl]acrolein |
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal |
|
356.4 |
|
|
TCMBANKIN035502 |
d-Piperitone |
InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H; 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-; 89-81-6; alpha-Piperitone; (6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; (6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; (6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; FEMA No. 2910; Piperitone, alpha-; LMPR01020066; (S)-piperitone; 2-Cyclohexen-1-one, 3-methyl-6-(1-methyethyl)-, (S)-; d-Piperitone (natural); C09885; (+)-Piperitone; 4-Isopropyl-1-methyl-1-cyclohexen-3-one; 6091-50-5; (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one; CHEBI:41; 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-one, (S)-; (S)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one; 6-isopropyl-3-methylcyclohex-2-en-1-one; PIPERITONE, D-; (6S)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN035509 |
trans-Pinocarveyl acetate |
EINECS 254-628-7; 39776-85-7; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3R,5R)-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3beta,5alpha))-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] ester; [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-3-norpinanyl] ester |
C12H18O2 |
194.27 |
CC(=O)OC1CC2CC(C1=C)C2(C)C |
|
TCMBANKIN035576 |
ZINC00407077 |
|
C9H14N2O |
166.22 |
|
|
TCMBANKIN035592 |
o-Tolualdehyde |
o-Methylbenzaldehyde; o-Tolylaldehyde; W306801_ALDRICH; 529-20-4; 117552_ALDRICH; InChI=1/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H; NSC103152; ST5213449; EINECS 208-452-2; 2-Methylbenzaldehyde; o-Tolualdehyde (8CI); Benzaldehyde, 2-methyl-; CCRIS 4735; 89830_FLUKA; NSC 103152; ZINC00896726; LS-2404; AI3-21918; c0250; o-Toluylaldehyde; C07214; o-Toluic aldehyde; o-Methylbenazldehyde; 2-Tolualdehyde; NCGC00091709-01; 2-Formyltoluene |
C8H8O |
120.15 |
CC1=CC=CC=C1C=O |
|
TCMBANKIN035636 |
(3R)-2,2-dimethyl-3-propyloxirane |
(3R)-2,2-dimethyl-3-propyl-oxirane |
C7H14O |
114.19 |
|
|
TCMBANKIN035650 |
3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]propanoic acid |
3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-phenyl]propanoic acid; 3-[3-[5-(2-carboxyethyl)-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-phenyl]propionic acid |
|
390.42 |
|
|
TCMBANKIN035652 |
3-Methoxyanisole |
ZINC00388167; Benzene, m-dimethoxy-; NSC8699; FEMA No. 2385; 126306_ALDRICH; W238503_ALDRICH; EINECS 205-783-4; Resorcinol dimethyl ether; AI3-00845; InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H; 1,3-Dimethoxybenzene; Dimethylether resorcinolu [Czech]; 151-10-0; 28000-65-9; Benzene, 1,3-dimethoxy-; NSC 8699; Dimethyl resorcinol; Dimethylresorcinol; m-Dimethoxybenzene; 83610_FLUKA; Methoxyanisole, m- |
C8H10O2 |
138.16 |
COC1=CC(=CC=C1)OC |
|
TCMBANKIN035766 |
ACETIC ACID,BORNYL ESTER |
ZINC00404304; acetic acid [(1R,2R,4R)-1,7,7-trimethyl-2-norbornanyl] ester; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate; [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] acetate; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H |
C12H20O2 |
196.29 |
|
|
TCMBANKIN035793 |
(3R)-3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxychroman-4-one |
(3R)-3-(2,3-dihydroxy-4-methoxy-phenyl)-7-hydroxy-chroman-4-one; (3R)-3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxy-4-chromanone |
C16H14O6 |
302.28 |
|
|
TCMBANKIN035819 |
AI3-23133 |
(1R,2S,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(+)-; (1R,2S,5R)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; (1R-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; 22339-08-8; EINECS 244-920-2; ZINC02242636 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN035837 |
2-Octenic acid |
2-octenicacid; 2-Octenoic acid; (Z)-2-Octenoic acid; AC1NR0MU; LMFA01030017; ZINC31302473; O5209_ALDRICH; 2Z-octenoic acid; 2-Octenoic acid, cis-; (E)-oct-2-enoic acid; C8:1n-6; CWMPPVPFLSZGCY-SREVYHEPSA-N; 3-n-amyl acrylic acid; EINECS 216-001-6; 2-octenic acid; Oct-2-enoic acid; trans-alpha-octenoic acid; (Z)-oct-2-enoic acid; NSC66570; cis-alpha-octenoic acid; LMFA01030018; SCHEMBL3507118; NCIOpen2_000192; NSC-66570; 2-Octenoic acid, (E)-; (2Z)-2-Octenoic acid #; Oct-2-enoic acid (E); trans-2-octenoic acid; 2Z-octenoate; EINECS 217-491-4; oct-2-enoate; 2-Octenoate; 1470-50-4; 1577-96-4; cis-2-octenoic acid; (2E)-2-Octenoic acid |
C8H14O2 |
142.2 |
CCCCCC=CC(=O)O |
|
TCMBANKIN035845 |
methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate |
(E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
|
366.5 |
|
|
TCMBANKIN035848 |
(1R)-(-)-thuj-3-ene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN035854 |
Ethyl 3-butenoate |
3-Butenoic acid, ethyl ester; NSC44507; 1617-18-1; but-3-enoic acid ethyl ester; AI3-17636; ethyl but-3-enoate |
C6H10O2 |
114.14 |
CCOC(=O)CC=C |
|
TCMBANKIN035873 |
Boschniakine |
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde; (R)-6,7-dihydro-7-methyl-5H-2-pyrindine-4-carboxaldehyde; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carbaldehyde; CHEBI:3157; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carboxaldehyde; C09915; (R)-6,7-dihydro-7-methyl-5H-2-pyrindinecarboxaldehyde; boschniakine; (7R)-7-methyl-2-pyrindan-4-carbaldehyde; 18070-40-1 |
C10H11NO |
161.2 |
CC1CCC2=C1C=NC=C2C=O |
|
TCMBANKIN035901 |
16-epi-Isositsirikine |
NSC 282700; 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16S,19E)- (8CI); (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-hydroxy-propionic acid methyl ester; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoate; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxy-propanoate; NSC 338932; (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoic acid methyl ester; Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)- (9CI) |
C21H26N2O3 |
354.4 g/mol |
CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN035934 |
Triptonoditerpenic acid |
2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-; AC1L30OA; 8-HYDROXY-7-ISOPROPYL-6-METHOXY-1,4A-DIMETHYL-4,9,10,10A-TETRAHYDRO-3H-PHENANTHRENE-2-CARBOXYLIC ACID; triptonoditerpenicacid; 8-hydroxy-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid; 139953-20-1; triptonoditerpenic acid |
C21H28O4 |
344.44 |
CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O |
|
TCMBANKIN035946 |
kushenol B |
kushenol b; AC1NSXEV; SCHEMBL564325; LMPK12140465; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one |
C30H36O6 |
492.6 g/mol |
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)CC(CC=C(C)C)C(=C)C)O)C |
|
TCMBANKIN035954 |
(1R,4S)-7,7-dimethyl-2-methylenenorbornane |
(1S,4R)-7,7-dimethyl-3-methylidenebicyclo[2.2.1]heptane; (1R,4S)-7,7-dimethyl-2-methylene-norbornane; (1S,4R)-7,7-dimethyl-3-methylidene-bicyclo[2.2.1]heptane |
C10H16 |
136.23 |
|
|
TCMBANKIN035959 |
Isobutyrophenone |
AI3-11204; 1-Propanone, 2-methyl-1-phenyl-; ZINC01693601; Phenyl isopropyl ketone; 611-70-1; alpha-Methylpropiophenone; 130362_ALDRICH; NSC6552; InChI=1/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H; 59730_FLUKA; Isopropyl phenyl keton; 2-methyl-1-phenyl-propan-1-one; Isobutyrylbenzene; 2-Methylpropiophenone; Isopropyl phenyl ketone; NSC 6552; 2-Methyl-1-phenyl-1-propanone; .alpha.-Methylpropiophenone; 2-methyl-1-phenylpropan-1-one; EINECS 210-275-0 |
C10H12O |
148.2 |
CC(C)C(=O)C1=CC=CC=C1 |
|
TCMBANKIN036006 |
1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene |
|
|
272.37 |
|
|
TCMBANKIN036074 |
isobetanin_qt |
|
|
388.36 |
|
|
TCMBANKIN036094 |
oxychleidonine |
|
|
367.38 |
|
|
TCMBANKIN036097 |
Homoarecoline |
5497-43-8; BRN 0125290; 28125-84-0; 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid ethyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER; Arecaidine-ethyl ester; Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate; homoarecoline; ethyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate |
C9H15NO2 |
169.22 |
CCOC(=O)C1=CCCN(C1)C |
|
TCMBANKIN036172 |
WLN: QVR CVQ |
m-Benzenedicarboxylic acid; 1,3-Benzenedicarboxylic acid; Acide isophtalique; Kyselina isoftalova [Czech]; InChI=1/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12; Benzene-1,3-dicarboxylic acid; NSC 15310; I19209_ALDRICH; AIDS-018124; HSDB 2090; EINECS 204-506-4; Isophthalic acid; Kyselina isoftalova; Acide isophtalique [French]; 121-91-5; 55185-18-7; AIDS018124; m-Phthalic acid; AI3-16107; 10027-33-5; CHEBI:30802; NSC15310; NCGC00164010-01; BRN 1909332; 4-09-00-03292 (Beilstein Handbook Reference) |
C8H6O4 |
166.13 |
C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-] |
|
TCMBANKIN036174 |
1,3,8-p-Menthatriene |
1,3,8- p- menthatriene; 1-methyl-4-prop-1-en-2-yl-cyclohexa-1,3-diene; 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethenyl)-; 1,3,8-p-menthatriene; 1-isopropenyl-4-methylcyclohexa-1,3-diene; 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene; 1-isopropenyl-4-methyl-cyclohexa-1,3-diene; 18368-95-1 |
C10H14 |
134.22 |
CC1=CC=C(CC1)C(=C)C |
|
TCMBANKIN036275 |
Ethylisobutyrate |
246085_ALDRICH; Ethyl isobutyrate (natural); 2-methylpropionic acid ethyl ester; W242802_ALDRICH; ETHYL ISOBUTYRATE; 58380_FLUKA; Isobutyric acid, ethyl ester; W242810_ALDRICH; Propionic acid, 2-methyl-, ethyl ester; NSC97194; 2-methylpropanoic acid ethyl ester; AI3-06121; 97-62-1; UN2385; 4-02-00-00846 (Beilstein Handbook Reference); Propanoic acid, 2-methyl-, ethyl ester; Ethyl isobutyrate [UN2385] [Flammable liquid]; BRN 0773846; WLN: 2OVY1&1; InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H; EINECS 202-595-4; Ethyl 2-methylpropionate; Ethyl 2,2-dimethylacetate; FEMA No. 2428; ZINC00391109; Ethyl 2-methylpropanoate; Ethyl isobutanoate; NSC 97194 |
C6H12O2 |
116.16 |
CCOC(=O)C(C)C |
|
TCMBANKIN036309 |
(2R)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid |
(2R)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; (2R)-2-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid; (2R)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid |
C99H148N24O24S2 |
2122.51 |
|
|
TCMBANKIN036321 |
Swerchirin |
1,8-dihydroxy-3,5-dimethoxy-9-xanthenone; 1,8-Dihydroxy-3,5-dimethoxyxanthen-9-one; 1,8-dihydroxy-3,5-dimethoxy-xanthen-9-one; 1,8-dihydroxy-3,5-dimethoxy-xanthone; swerchirin; 9H-Xanthen-9-one, 1,8-dihydroxy-3,5-dimethoxy- (9CI); 521-65-3; C10091; BRN 0313581; 5-18-05-00194 (Beilstein Handbook Reference); 1,8-Dihydroxy-3,5-dimethoxy-9H-xanthen-9-one; 5-O-Methylbellidifolin; Xanthen-9-one, 1,8-dihydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-1,8-dihydroxyxanthone; Methylbellidifolin |
C15H12O6 |
288.25 |
COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C(C=C3O2)OC)O |
|
TCMBANKIN036343 |
trans-1,2-Diacetylethylene |
NSC 11746; (E)-hex-3-ene-2,5-dione; hex-3-ene-2,5-dione; NSC 38025; 820-69-9; 3-HEXENE-2,5-DIONE (TRANS); 3-Hexene-2,5-dione, (E)- |
C6H8O2 |
112.13 |
CC(=O)C=CC(=O)C |
|
TCMBANKIN036371 |
Sweroside aglycone |
(4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one; 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-; 15215-11-9; 1H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-; 5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-; (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one |
C10H12O4 |
196.2 |
C=CC1C2CCOC(=O)C2=COC1O |
|
TCMBANKIN036384 |
[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate |
[(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; 20777-36-0; 50539-17-8; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-; acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester; [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate; acetic acid [(1R,2R,5R)-2-isopropyl-5-methylcyclohexyl] ester |
C12H22O2 |
198.3 |
CC1CCC(C(C1)OC(=O)C)C(C)C |
|
TCMBANKIN036448 |
clemastanin B_qt |
|
C32H44O16 |
684.68 |
|
|
TCMBANKIN036468 |
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one |
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one |
C22H24O11 |
464.42 |
|
|
TCMBANKIN036493 |
(2R,6R)-2,6-dimethylcyclohexan-1-ol |
(2R,6R)-2,6-dimethyl-1-cyclohexanol; ZINC01587613 |
C8H16O |
128.21 |
|
|
TCMBANKIN036527 |
Picroside I_qt |
|
C24H28O11 |
492.47 |
|
|
TCMBANKIN036544 |
1,2,3-trimethylcyclohexane |
1,2,3-trimethyl-cyclohexane |
C9H18 |
126.24 g/mol |
CC1CCCC(C1C)C |
|
TCMBANKIN036566 |
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione |
1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione |
|
342.42 |
|
|
TCMBANKIN036662 |
IPA |
Isopropyl alcohol (manufacturing-strong acid process only); sec-Propyl alcohol; 34965_RIEDEL; i-Propanol [German]; 278475_ALDRICH; 443425_SIAL; CHEBI:17824; Caswell No. 507; Alcool isopropilico; 563935_ALDRICH; Alcosolve 2; EPA Pesticide Chemical Code 047601; Alcool isopropylique; Takineocol; 442369_SUPELCO; c0519; NCGC00090917-01; Isopropyl alcohol [USAN]; Ethyl, 1-hydroxy-1-methyl-; Isopropanol; 92438_FLUKA; EINECS 200-661-7; Combi-schutz; N-Term LC Solvent System B; Avantine; ZINC00901159; 67-63-0; 673773_ALDRICH; sec-propanol; i-Propylalkohol [German]; AIDS-186244; 40279_RIEDEL; Secondary alcohol; 2-Hydroxypropane; BRN 0635639; LS-1565; Alcojel; D00137; Lutosol; 2-Propyl alcohol; 4-01-00-01461 (Beilstein Handbook Reference); Isopropanol (JP15); I9782_SIGMA; 1-Methylethanol; 154970_SIAL; Alcool isopropilico [Italian]; Isopropryl alcohol; 1-Methylethyl alcohol; 8013-70-5; NSC135801; HSDB 116; Isopropyl alcohol (USP); 439207_ALDRICH; 40343_RIEDEL; 34895_RIEDEL; UN1219; CCRIS 2308; WLN: QY1&1; 59309_FLUKA; Spectrar; Alkolave; FEMA No. 2929; I9516_SIGMA; Alcool isopropylique [French]; 2-Propanol : Water 31:69 with 0.1% buffer; i-Propyl alcohol; secondary alcohols; Alcolo; Alcohol, rubbing; Iso-propylalkohol; Isopropenol; Imsol A; 40314_RIEDEL; Iso-propylalkohol [German]; C01845; i-propanol; Arquad DMCB; 1-Hydroxy-1-methylethyl; Lavacol; Sterisol hand disinfectant; NSC 135801; 2-Propanol solution; Isopropyl alcohol; AI3-01636; Visco 1152; 34959_RIEDEL; 40301_RIEDEL; 91237_FLUKA; FEMA Number 2929; Isopropylalkohol; 2-PROPANOL, ISOPROPANOL; IOH; 534021_ALDRICH; Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required); 24137_RIEDEL; i-Propylalkohol; 190764_SIAL; Isopropyl alcohol, rubbing; CHEBI:35681; Rubbing alcohol; Isopropyl alcohol (manufacture strong-acid process); 59304_FLUKA; 34863_SIAL; Isohol; Isopro; I9030_SIGMA; 33539_RIEDEL; ST5214369; 650447_ALDRICH; Hartosol; Avantin; AIDS186244; Isopro (TN); Petrohol; 5131-95-3; 2-Propanol; W292907_ALDRICH; R-CHOH-R'; n-Propan-2-ol; Iso-propyl alcohol; Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]; Dimethylcarbinol; Propan-2-ol; InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H; Alcosolve; Propol; 675431_ALDRICH; 437522_SIAL; 40219_RIEDEL; 109827_ALDRICH |
C3H8O |
60.1 |
CC(C)O |
|
TCMBANKIN036665 |
13-methylpalmatrubine |
|
|
352.44 |
|
|
TCMBANKIN036684 |
3-methyl-2,3-dihydro-furan |
|
C5H8O |
84.12 |
CC1COC=C1 |
|
TCMBANKIN036738 |
(E)-oct-2-en-4-one |
2-Octen-4-one; (2E)-2-Octen-4-one; 4643-27-0; Propenyl butyl ketone; ZINC02600020; 2-Octen-4-one (natural); EINECS 225-071-7; FEMA No. 3603; Butyl propenyl ketone |
C8H14O |
126.2 |
CCCCC(=O)C=CC |
|
TCMBANKIN036752 |
ketologanin_qt |
|
C17H24O10 |
388.37 |
|
|
TCMBANKIN036755 |
kaempferol,3-galactoside |
|
C21H20O11 |
448.38 |
|
|
TCMBANKIN036780 |
(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide |
(2S,3S)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxo-pentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-methanoylphenoxy)-4-methyl-pentanamide; (2S,3S)-N-[(1S)-1-carbamoyl-3-methylbutyl]-2-[[(2S)-2-dimethylamino-1-oxo-3-phenylpropyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide; (2S,3S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-dimethylamino-3-phenylpropanoyl]amino]-3-(4-formylphenoxy)-4-methylpentanamide |
C30H42N4O5 |
538.68 |
|
|
TCMBANKIN036784 |
Balchanin |
4290-13-5; 6895-45-0; Eudesma-3,11(13)-dien-12-oic acid, 1beta,6alpha-dihydroxy-, gamma-lactone; Santamarin; 11016-81-2; AIDS104092; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9aS,9bS)-; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-2-one; Santamarine; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-; AIDS-104092; C09544; Naphthol]1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[3,4-d]furan-2-one |
C15H20O3 |
248.32 |
CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O |
|
TCMBANKIN036785 |
daucostero_qt |
strumaroside _qt; β-sitosterol-3-O-β-D-glucopyranoside_qt; daucosterol_qt |
C35H60O6 |
576.85 |
|
|
TCMBANKIN036789 |
salvianolic acid a |
4CN-1253; AC-20308; 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; SCHEMBL10041475; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid; 2-(3,4-Dihydroxystyryl)-3,4-dihydroxycinnamic acid alpha-carboxy-3,4-dihydroxyphenethyl ester; Benzenepropanoic acid, a-[[(2E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-; Dimethyl methyldopa HCL; Salvianolicacid A; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; AKOS015965219; 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acryloyl]oxy-propionic acid; AC1O1L81; Benzenepropanoic acid, alpha-((3-(2-(2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E,E))-; BC216311; Salvianolic acid A; 96574-01-5; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxyphenyl]-1-oxoprop-2-enoxy]propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; salvianolicacid a; C10492 |
C26H22O10 |
494.45 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN036804 |
acacetin |
Linarigenin; KBio2_000595; AIDS014771; SPECTRUM200499; 480-44-4; Acaceztin; 4'-Methoxy-5,7-dihydroxyflavone; Akatsetin; A827453; KBio1_000878; 5,7-Dioxy-4'-methoxyflavone; Apigenin 4'-dimethyl ether; NSC76061; CHEBI:15335; Prestwick1_000695; Spectrum_000135; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; NINDS_000878; 00017_FLUKA; ZINC00005600; Acacetin; AIDS-014771; WLN: T66 BO EVJ CR DO1& GQ IQ; Acacetine; IDI1_000878; Flavone, 5,7-dihydroxy-4'-methoxy- (8CI); 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Prestwick0_000695; NSC 76061; Spectrum5_000930; SPBio_002770; CHEBI:57284; KBioSS_000595; Prestwick_49; NCGC00095213-03; BCBcMAP01_000082; NCGC00016458-01; KBio2_003163; BPBio1_000935; Prestwick2_000695; KBio2_005731; ACAETIN; SMP1_000001; Apigenin 4'-methyl ether; DivK1c_000878; 7-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate; Prestwick3_000695; 5,7-dihydroxy-2-(4-methoxyphenyl)chromone; 5,7-Dihydroxy-4'-methoxyflavone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; BRN 0277879; Flavone, 5,7-dihydroxy-4'-methoxy-; 2-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; C01470; CAS-480-44-4; Buddleoflavonol; NCGC00095213-01; Linarisenin; EINECS 207-552-3; 5-18-04-00575 (Beilstein Handbook Reference); NCGC00095213-02; ST066889; BSPBio_000849; Apisenin 4'-methyl ether; acacetin ; 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate; 4'-Methoxyapigenin; 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
C16H12O5 |
284.263 |
c1([H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])C3=O)c3c(O[H])c([H])c1O[H] |
|
TCMBANKIN036825 |
Honokiol |
VZ32385; 354H746; NCGC00163567-01; HMS2051C12; 11513CCO0N; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-; 2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; ZINC00001536; STK801954; AIDS002243; FVYXIJYOAGAUQK-UHFFFAOYSA-N; AC-486; SMP2_000040; 5,3′ C10630; AX8008971; NSC-293100; AS-15333; W-2613; 3',5-diallyl-2,4'-biphenyldiol; AC1Q7A9U; MLS000759481; TR-014635; 564-73-8; SR-01000758208-5; 3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol; J10347; NC00114; SAM001246690; Bio-0326; MLS001423980; CHEBI:5759; 3'',5-diallylbiphenyl-2,4''-diol; REGID_for_CID_72303; O900; MolPort-002-507-432; SCHEMBL133034; InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H; BC205226; AN-15767; ANW-56605; MCULE-5001549020; ACN-035410; 3,5'-Diallyl-4,2'-dihydroxybiphenyl; Honokiol, >=98% (HPLC), powder; D04DQJ; CTK5J3931; BG01559998; SR-01000758208; BRD-K98493452-001-01-6; AC1L2HTG; AB0016711; AKOS005622639; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; AT-5464; 5,3''''-Diallyl-biphenyl-2,4''''-diol; RTR-014635; cid_72303; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; CHEMBL16901; 3',5-Diallyl-2,4'-dihydroxybiphenyl; 35354-74-6; 5,3′-Diallyl-2,4′-dihydroxybiphenyl; houpa; UNII-11513CCO0N; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; CPD000387107; HY-N0003; HMS3393C12; Honokiol; Q-100425; FT-0601638; 5,3''-Diallyl-biphenyl-2,4''-diol; 3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol; BBL027819; MFCD00016674; CCG-100864; ST24044036; AK-25837; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-; Honokiol, analytical standard; AJ-08043; BDBM50157304; 3',1'-biphenyl)-2,4'-diol; 5,3'-Diallyl-biphenyl-2,4'-diol; NSC293100; NCGC00163567-03; BG00615873; 4CN-0876; NSC 293100; H4914_SIGMA; KS-00000NQF; 3',5'-Diallyl-2,4'-biphenyldiol; SC-17371; BN0719; NCGC00163567-02; LS-174528; BB_NC-1461; s2310; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; API0002927; CS-1696; I06-0428; N1672; HMS2271J07; DTXSID30188845; SMR000387107; MLS001048916; AIDS-002243; HMS3656G03; Honokiol, HO; Honokiol, European Pharmacopoeia (EP) Reference Standard; ZINC1536; Honokiol,(S); MLS006011755; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; 5,3′-Diallyl-2,4′-dihydroxydiphenyl; 4-allyl-2-(3-allyl-4-hydroxyphenyl)phenol; 3',5-Diallylbiphenyl-2,4'-diol |
|
266.334 |
|
|
TCMBANKIN036826 |
hesperetin |
BSPBio_000168; KBio1_001039; BCBcMAP01_000087; CAS-520-33-2; C01709; KBio2_005797; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one; Spectrum3_001104; KBioGR_002311; IDI1_001039; 520-33-2; Prestwick0_000124; CHEBI:61249; EINECS 208-290-2; SPBio_001745; KBio2_003229; KBio2_000661; NSC 57654; NCGC00016482-02; Spectrum2_001793; hesperetin(1-); 3',5,7-Trihydroxy-4'-methoxyflavanone; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; Prestwick1_000124; ZINC00039092; AIDS-001413; (-)-hesperetin; Prestwick_908; BPBio1_000186; (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Spectrum5_000683; NCGC00142415-02; NINDS_001039; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate; Spectrum4_001935; Oprea1_828704; TNP00238; Prestwick3_000124; H4125_SIGMA; CHEBI:28230; SDCCGMLS-0066605.P001; KBio3_002028; SMP1_000148; SPBio_002107; DivK1c_001039; Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI); hesperetin; Prestwick2_000124; 3′,5,7-Trihydroxy-4-methoxyflavanone; Spectrum_000181; NCGC00016482-01; SPECTRUM310012; KBioSS_000661; AIDS001413; NCGC00142415-01; hesperetin anion; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone; YSO2; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; SBB005936; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI); BSPBio_002808; (2S)-hesperetin; (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
C16H14O6 |
302.279 |
c1(O[H])c([H])c(O[C@@]([H])(c2c([H])c([H])c(OC([H])([H])[H])c(O[H])c2[H])C([H])([H])C3=O)c3c(O[H])c1[H] |
|
TCMBANKIN036828 |
Wedelolactone |
NCGC00163667-01; N2131; UNII-0K6L725GNS; 1,8,9-Trihydroxy-3-methoxycoumestan; Ambotz524-12-9; CTK8G3781; 0K6L725GNS; Wedelolactone, European Pharmacopoeia (EP) Reference Standard; SC-67595; ZINC6483512; IKK Inhibitor II, Wedelolactone; GTPL5551; CCG-208289; NCGC00163667-02; SR-05000002318-2; Wedelolactone, >=98% (HPLC), powder; 7-Methoxy-5,11,12-trihydroxy-coumestan; AKOS015897173; AN-45548; C10541; AC1NQZ4Z; CHEMBL97453; BRD-K53635676-001-02-3; 1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one; 7-Methoxy-5,11,12-trihydroxycoumestan; CHEBI:10037; DTXSID60200408; 1,8,9-trihydroxy-3-methoxy-6-benzofurano[3,2-c]chromenone; W4016_SIGMA; Wedelolactone, <i>Eclipta alba; FT-0698529; SCHEMBL601220; MFCD07778564; SR-05000002318; CM-842; 5,11,12-Trihydroxy-7-methoxycoumestan; K00058; 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one; NCGC00163667-03; Wedelolactone, Eclipta alba; BRD-K53635676-001-01-5; 7-methoxy-5,11,12-trihydroxy-coumestan; Wedelolactone; 524W129; SMP2_000112; 1,8,9-trihydroxy-3-methoxy-benzofurano[3,2-c]chromen-6-one; 1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one; 524-12-9; MolPort-003-960-187; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-; 1,8,9-trihydroxy-3-methoxy-benzofuro[3,2-c]chromen-6-one; HMS2043P19; LMPK12090046; D0F8QJ; BDBM50096619; Wedelolactone, analytical standard; I07-0266; 6H-Benzofuro[3,2-c][1]benzopyran-6-one,1,8,9-trihydroxy-3-methoxy-; 1,8,9-Trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one; 1,8,9-trihydroxy-3-methoxy-[1]benzoxolo[3,2-c]chromen-6-one; Wedelolactone; 7-Methoxy-5,11,12-trihydroxy-coumestan |
C16H10O7 |
314.246 |
c1(O[H])c([H])c(c(C(=O)Oc(c([H])c(OC([H])([H])[H])c([H])c2O[H])c23)c3o4)c4c([H])c1O[H] |
|
TCMBANKIN036840 |
protocatechuic acid |
3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 |
C18H14O8 |
358.299 |
c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
|
TCMBANKIN036842 |
piperine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.338 |
c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H] |
|
TCMBANKIN036858 |
Tangeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
|
372.37 |
|
|
TCMBANKIN036871 |
Glabridin |
AIDS-096010; 59870-68-7; 4-(3,4-Dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-1,3-benzenediol; C10421; 4-((R)-8,8-Dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:4,3-b']dipyran-3-yl)-benzene-1,3-diol; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]benzene-1,3-diol; 1,3-Benzenediol, 4-(3,4-dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-, (R)-; AIDS096010; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]resorcinol; glabridin |
C20H20O4 |
324.37 |
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C |
|
TCMBANKIN036876 |
genipin |
(1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09780; methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; SCHEMBL13526030; (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 6902-77-8; Genipin; SMR001397100; HMS2213D09; CHEMBL1317787; MLS002472994 |
C12H16O4 |
224.253 |
[C@]12([H])[C@]([H])(C(C([H])([H])O[H])=C([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])=C2C(OC([H])([H])[H])=O |
|
TCMBANKIN036882 |
coptisine |
Y0053; BDBM50030257; C19H14NO4; UNII-0GCL71VN14; AK198733; HSDB 8323; CHEMBL362071; Coptisine sulfate; 6020-18-4 (chloride); DTXSID10188404; XYHOBCMEDLZUMP-UHFFFAOYSA-N; AC1Q701I; Coptisine; alkaloid; C16938; HY-N0430; N1737; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7-dihydro-; 1198398-71-8; 0GCL71VN14; MEGxp0_001731; N2494; Q-100421; LS-44700; AC1L2HUS; KPT; CHEBI:67862; bis[methylenedioxy]protoberberine; I14-18844; NCI60_000465; 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium; FT-0689356; FT-0645075; ZINC1709414; 3486-66-6; 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium; AKOS015903291; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-; Coptisin; SCHEMBL156866; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-; 348C666; MolPort-020-005-796 |
C19H14NO4 |
321 |
c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(C([H])=C(C([H])=C(OC([H])([H])O4)C4=C5[H])C5=C6[H])=C36)c2[H] |
|
TCMBANKIN036888 |
Pinocembrin |
Spectrum5_000349; KBio3_002549; AIDS014893; (R)-5,7-Dihydroxy-2-phenylchroman-4-one; NCGC00017205-02; SDCCGMLS-0066749.P001; ZB000598; SpecPlus_000896; (-)-pinocembrin; pinocembrine; (2S)-5,7-dihydroxy-2-phenyl-4-chromanone; Spectrum_001879; AKOS030254805; KBio2_004969; URFCJEUYXNAHFI-CYBMUJFWSA-N; NCGC00017205-01; Spectrum3_001635; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-(-)-; ST023293; 5,7-Dihydroxyflavanone; BSPBio_003329; ZINC00073693; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-; (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one; AK582703; 206660-42-6; KBio2_007537; NCGC00142377-01; (2S)-5,7-dihydroxy-2-phenylchroman-4-one; TNP00071; Pinocembrin (6CI); NSC 279005; (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one; SCHEMBL10080882; Oprea1_508274; (R)-PINOCEMBRIN; DivK1c_006992; (2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; A836234; SPBio_001859; Spectrum2_001670; AIDS-014893; KBioSS_002406; KBio2_002401; CTK0J0172; AC1LDIB9; (2R)-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one; N2094; NSC 661207; (2R)-5,7-dihydroxy-2-phenylchroman-4-one; ZINC4935; BDBM26666; 480-39-7; KBioGR_002249; DTXSID30349853; CHEMBL399249; pinocembrin; ST024705; C09827; KBio1_001936; (R)-5,7-dihydroxyflavanone; (2S)-5,7-dihydroxy-2-phenyl-chroman-4-one; (2R)-5,7-DIHYDROXY-2-PHENYL-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; NSC 43318; Spectrum4_001765 |
C16H14O4 |
270.28 |
c1([H])c([H])c([H])c([C@@]2([H])Oc(c([H])c(C([H])([H])O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
|
TCMBANKIN036896 |
Dehydrocorybulbine |
SCHEMBL16804538; CHEMBL3343658; 2,9,10-trimethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol; dehydrocorybulbine; AC1NSUA1; BDBM50030258 |
C21H22NO3 |
337 |
c1([H])c([H])c(C([H])([H])C([H])([H])N(C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C2=C3C([H])([H])[H])=C34)c4c([H])c1OC([H])([H])[H] |
|
TCMBANKIN036902 |
magnolol |
UPCMLD-DP037:001; UNII-001E35HGVF; 001E35HGVF; TR-031540; FT-0628104; SR-01000758206-3; AN-15430; 2'-Bichavicol; NSC 293099; MLS001048917; STK801955; KS-000009BG; ZINC00001645; [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl-; 5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol; HMS3651O18; ZINC1645; PubChem19035; DS-1284; CTK1G9448; ST24029219; NCGC00161609-01; 2-(2-hydroxy-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol; HY-N0163; BN0720; 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol; MFCD00016658; SMP2_000086; SCHEMBL132477; 5,5'-Diallyl-2,2'-dihydroxybiphenyl; (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-; 3r5n; BC205200; Magnolol, European Pharmacopoeia (EP) Reference Standard; NSC293099; Magnolol, >=95% (HPLC), from plant; ACN-035415; SMR000387108; CM0085; Magnolol; NCGC00161609-02; magnolol ; MCULE-1351244567; AB0016717; VVOAZFWZEDHOOU-UHFFFAOYSA-N; 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol; 2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol; 2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 528-43-8; 4-allyl-2-(5-allyl-2-hydroxyphenyl)phenol; HMS2269N09; Dehydrodichavicol; AC1Q7B1V; 4CN-0760; D3971; 5,5′-Diallyl-2,2′-biphenyldiol; BBL027818; s2321; 5,5'-Diallylbiphenyl-2,2'-diol; NSC-293099; KB-279770; CHEMBL180920; CCG-208588; AJ-08064; S-2836; 5,5'-Diallyl-2,2'-biphenyldiol; 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol; SR-01000758206; HSDB 7686; DTXSID0044076; AIDS-002239; BR-72952; CHEBI:6643; SC-25620; J10186; 5,5;-Diallyl-[1,1;-biphenyl]-2,2;-diol; M3445_SIGMA; UPCMLD-DP037; 528M438; BDBM78304; I01-2281; O906; Q-100598; AX8016874; LS-44356; AIDS002239; 2,2'-Bichavicol; BG00615874; Kopnolia; AC-931; N1359; SR-01000758206-4; AK-72952; MolPort-002-507-434; BB_NC-1463; Bio-0675; BRD-K26168087-001-01-4; RTR-031540; AKOS005266409; ZB000381; REGID_for_CID_72300; cid_72300; C-16714; C10651; AC1L2HT7; SY016075; CC-30123; CJ-00060; CS-5021 |
C18H18O2 |
266.334 |
C([H])([H])=C([H])C([H])([H])c1c([H])c([H])c(O[H])c(c2c([H])c(C([H])([H])C([H])=C([H])[H])c([H])c([H])c2O[H])c1[H] |
|
TCMBANKIN036911 |
Neocryptotanshinone |
Tanshinone V; CHEMBL1209715; AC1L4E98; ACMC-20cs2t; MolPort-039-338-876; AC1Q6N8U; CTK4A6611; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; Neocryptotanshinone; 121077-35-8; SCHEMBL14417697; 1,4-Phenanthrenedione,5,6,7,8-tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-; 109664-02-0 |
|
314.376 |
|
|
TCMBANKIN036917 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN036942 |
denudanolide D |
|
C23H28O6 |
400.465 |
c1([C@]2([H])[C@@]([H])(C([H])([H])[H])[C@]3(OC([H])([H])[H])OC(=O)[C@@]2([H])C(=C([H])[H])C(C([H])([H])C([H])=C([H])[H])=C3[H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN036978 |
3'-O-acetylhamaudol |
[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate; Hamaudol acetate; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate; 3'-o-acetylhamaudol; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate; acetic acid [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; acetic acid [(7S)-5-hydroxy-4-keto-2,8,8-trimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; AC1NSTKZ |
C18H21O5 |
317 |
c12c(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O([H])([H])([H])C([H])=C=O)C1([H])[H])c([H])c3c(C(=O)C([H])=C(C([H])([H])[H])O3)c2O[H] |
|
TCMBANKIN037001 |
alpha-Guaiene |
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene |
C15H24 |
204.35 g/mol |
CC1CCC(CC2=C1CCC2C)C(=C)C |
|
TCMBANKIN037047 |
kurarainone |
Kurarinone, >=98% (HPLC); CHEBI:66150; MolPort-039-339-013; SCHEMBL563362; C17446; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one; J3.604.214A; (2S)-(-)-kurarinone; LMPK12140499; Kurarinone; 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone; ZINC14711629; AKOS030530879; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one; AK555456; (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one |
C12H18N2O2 |
222.28 |
CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C |
|
TCMBANKIN037057 |
Arachidoside |
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R-cis)-; 3'-o-methylepicatechin; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-; 3'-Methylepicatechin; arachidoside; 76549-34-3; 3'-O-Methyl-(-)-epicatechin; 3'-O-METHYL EPICATECHIN; Symplocosidin; 67FI825885; (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; LMPK12020111; CHEMBL2297044; SCHEMBL349242; CHEBI:70254; UNII-67FI825885 |
|
304.29 g/mol |
|
|
TCMBANKIN037277 |
Oleanolic acid |
Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid |
C30H48O3 |
457 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C(
[H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN037280 |
obtusin |
Q-100954; 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione; 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthraquinone; SCHEMBL16226754; 0934AC; AC1L4E5Y; DTXSID20220869; CHEMBL511524; AK120353; AKOS016010643; ST24036903; 9,10-Anthracenedione, 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-; KB-216616; 1,7-Dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dioneObtusin; 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-anthracene-9,10-dione; obtusin; 4CH-024755; CHEBI:80881; BG01321412; AN-37719; 1,6,7-Trimethoxy-2,8-dihydroxy-3-methylanthracene-9,10-dione; ZINC6070308; AJ-55627; 70588-05-5; 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthraquinone; AX8245769; BDBM50133046; C17040; 588O055 |
C18H16O7 |
344.315 |
c1(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c(C(=O)c(c(OC([H])([H])[H])c(O[H])c(C([H])([H])[H])c2[H])c2C3=O)c3c1[H] |
|
TCMBANKIN037327 |
isodihydrofutoquinol a |
|
C21H24O5 |
356.41 |
CC(CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
TCMBANKIN037353 |
Kushenol E |
LMPK12140469; NCGC00180015-01; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one; BRD-A66388418-001-01-1; kushenol e; ACon1_001907; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-4-chromanone; SCHEMBL564110 |
C25H28O6 |
424.49 |
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C |
|
TCMBANKIN037357 |
feroxidin |
(6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol; AC1NSVG1 |
C11H14O3 |
194.23 |
CC1CC(CC2=C1C(=CC(=C2)O)O)O |
|
TCMBANKIN037362 |
Quercetagetin-3,4'-dimethyl ether |
5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one; quercetagetin-3,4'-dimethyl ether; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromone; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-chromenone; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one |
C17H14O8 |
346.29 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC)O |
|
TCMBANKIN037382 |
Aloeemodin |
AC1Q6JR7; SMP2_000291; Aloe-emodol; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; DSSTox_RID_78855; AS-11638; NCGC00163510-02; HY-N0189; CCG-208456; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; AJ-48016; DTXSID2030695; BC216172; TL8003252; 3-(Hydroxymethyl)chrysazin; MLS000697563; BBL027838; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; AK160272; 481-72-1; aloe emodine; MCULE-6965338444; RP29614; 1, 8-dihydroxy-3-hydroxymethylanthraquinone; BB_NC-2562; NCGC00255349-01; C10294; SR-01000765772; BG00617009; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; ST24045939; DSSTox_CID_10695; Tox21_302400; NCGC00163510-03; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; Aloeemodin; s2259; CS-3709; TR-031339; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 4-08-00-03578 (Beilstein Handbook Reference); AIDS-048396; InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H; 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthrachinon; CAS-481-72-1; EINECS 207-571-7; UNII-C8IYT9CR7C; LMPK13040002; AC-020; NSC-38628; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; 1,8-dihydroxy-3-methylol-9,10-anthraquinone; CCRIS 3526; AC1L1UPK; BG01563188; LS-2202; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; Aloe emodin; AX8006287; SR-01000765772-3; Q-100526; SC-46578; 3-Hydroxymethylchrysazin; Rhabarberone; AIDS048396; NSC 38628; BRN 2059062; C8IYT9CR7C; N1851; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; AB0010470; Aloe-emodin, >=95% (HPLC); ZINC4098644; aloe emodin; HMS3655N16; D09BUG; CHEMBL40275; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); NCGC00163510-01; MLS006011799; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; AN-16215; NCI60_003685; Aloeemodin:9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,; cid_10207; 3-Hydroxymethylchrysazine; Aloe-emodin; SMR000470920; aloeemod-in; MFCD00017373; LMPK02000031; STL146380; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; MolPort-003-931-716; FT-0622062; aloe-emodin; API0001418; 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Rottlerin?; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; A7687_SIGMA; I14-1413; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); CA-417; BDBM50085551; Aloe-emodine; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; Aloe-emodin, analytical standard; AKOS005720864; aloe-emodin ; SCHEMBL309756; 481A721; EMODINE; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; CHEBI:2607; DSSTox_GSID_30695; CA0128 |
|
270.24 |
|
|
TCMBANKIN037392 |
Corypalline |
NSC131674; 450-14-6; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; corypalline |
|
193.24 |
|
|
TCMBANKIN037431 |
licarin b |
NSC370990; (-)-Licarin-B; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole; AC1NTO25; AN-41316; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole; 5-[(3S)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole; 51020-87-2; NSC-370990 |
C20H20O4 |
324.37 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN037459 |
N-(p-Hydroxyphenethyl) actinidine |
n-(p-hydroxyphenethyl)actinidine |
C18H22NO |
268.4 g/mol |
C1(C([H])([H])[H])=C([H])N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])C3=C1C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[H] |
|
TCMBANKIN037474 |
1,3,6-trihydroxy-2,5,7-trimethoxyxanthone |
|
C16H16O8 |
336.293 |
c1(O[H])c([H])c(O[C@]([H])(C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C3=O)c3c(O[H])c1OC([H])([H])[H] |
|
TCMBANKIN037504 |
β-Bisabolene |
(1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- |
|
204.35 g/mol |
|
|
TCMBANKIN037512 |
Pterosin O |
(2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-1-indanone; pterosin o; (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one; 54854-89-6; AC1L363E; (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-indan-1-one; (R)-2,3-Dihydro-6-(2-methoxyethyl)-2,5,7-trimethyl-1H-inden-1-one; 1H-Inden-1-one, 2,3-dihydro-6-(2-methoxyethyl)-2,5,7-trimethyl-, (R)- |
C15H20O2 |
232.32 |
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC)C |
|
TCMBANKIN037555 |
Filicinic acid |
filicinicacid |
C8H10O3 |
154.163 |
C1(O[H])=C([H])C(=O)C([H])=C(O[H])C1(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN037559 |
Decaffeoylacteoside |
decaffeoy lacteoside |
|
462.4 g/mol |
|
|
TCMBANKIN037560 |
iso-preleoheterin |
|
C20H30O4 |
334.4 g/mol |
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O |
|
TCMBANKIN037659 |
bolusanthol B |
|
C20H20O6 |
356.369 |
c1([H])c(O[H])c([H])c(OC([H])([H])[C@]([H])(c2c([H])c(O[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c2[H])C3=O)c3c1O[H] |
|
TCMBANKIN037770 |
torachrysone |
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one; 1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone; 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone; C17672; Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-; Nakahalene; AKOS032948833; CHEBI:81265; 1-(1,8-dihydroxy-6-methoxy-3-methyl-naphthalen-2-yl)ethanone; CHEMBL2204398; BG01228450; ZINC13307187; Torachrysone; 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene; 1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene; SCHEMBL932035; MolPort-028-599-891; 22649-04-3; N-Nitroso-N-phenyl-Urea; AC1NT11I; CTK8H6905; W2033; 1-Nitroso-1-phenyl-Urea |
C14H14O4 |
246.259 |
c1(C([H])([H])[H])c([H])c(c([H])c(OC([H])([H])[H])c([H])c2O[H])c2c(O[H])c1C(=O)C([H])([H])[H] |
|
TCMBANKIN037813 |
genistein |
BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
TCMBANKIN037817 |
γ-selinene |
gamma-selinene; γ- Selinene; Eudesma-4(14),7(11)-diene - Substance |
C15H24 |
204.35 |
CC(=C1CCC2(CCCC(=C)C2C1)C)C |
|
TCMBANKIN037830 |
Picropodophyllin |
(10R,11S,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0;{3,7}.0;{11,15}]hexadeca-1,3(7),8-trien-12-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JQ; Picropodophyllin; KBioGR_002538; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(.alpha.-5a.alpha.,8a.alpha.,9.alpha.)]; Insulin-like Growth Factor-1 Receptor Inhibitor; SPECTRUM1504410; KBioSS_002116; BRN 0099161; NSC 36407; SCHEMBL13661743; Spectrum4_001836; IGF-1R Inhibitor, PPP; Spectrum3_001671; KBio2_004684; Lignans; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; KBio2_007252; C10871; SDCCGMLS-0066757.P001; Spectrum2_000520; AIDS006792; KBio3_002701; SPBio_000479; Picropodophyllotoxin; CCG-203057; AIDS-006792; KBio2_002116; 17434-18-3; Spectrum5_000631; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.alpha.,8a.alpha.,9.alpha.)]-; Picropodophyllin (8CI); Spectrum_001636; 477-47-4; BSPBio_003481; (5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NCGC00161923-01; AC1L9DV2; NSC36407 |
|
414.41 |
|
|
TCMBANKIN037935 |
Rivularin |
5,2'-dihydroxy-7,8,6'-trimethoxyflavone |
|
344.32 |
|
|
TCMBANKIN037991 |
salvianic acid c |
|
|
378.36 |
|
|
TCMBANKIN038023 |
xanthoplanine |
Alkaloid FR-1; (+)-Xanthoplanine; 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium |
C23H30NO4 |
385 |
c1(OC([H])([H])[H])c([H])c2c([C@]([H])(C([H])([H])c(c([H])c(O[H])c(OC([H])([H])C([H])([H])[H])c3[H])c34)N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])c4c1OC([H])([H])C([H])([H])[H] |
|
TCMBANKIN038032 |
formononetin |
Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
C16H12O4 |
268.264 |
C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
|
TCMBANKIN038080 |
Gentianal |
|
|
193.2 |
|
|
TCMBANKIN038090 |
neolignan |
|
C20H20O6 |
356.369 |
c12c(OC([H])([H])O1)c([H])c([H])c([C@]3([H])[C@@]([H])(C([H])([H])[H])[C@](OC([H])([H])[H])(OC(=O)[C@]34[H])C([H])=C(C([H])([H])C([H])=C([H])[H])C4=O)c2[H] |
|
TCMBANKIN038150 |
Lappaol C |
64855-00-1; 4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-y; 2(3H)-Furanone, dihydro-4-((4-hydroxy-3-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl)-5-methoxyphenyl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-; 9R9RZN471Y; CHEBI:81275; C17686; lappaol c; UNII-9R9RZN471Y; LAPPAOL C |
|
555 |
|
|
TCMBANKIN038187 |
Gomisin J |
AIDS-059281; (-)-Gomisin J; AIDS059281; gomisin j; 66280-25-9; Dibenzo(a,c)cyclooctene-3,10-diol, 5,6,7,8-tetrahydro-1,2,11,12-tetramethoxy-6,7-dimethyl-, stereoisomer; 6(S),7(R)-Dibenzo(a,c)cyclooctene-3,10-diol, 5,6,7,8-tetrahydro-1,2,11,12-tetramethoxy-6,7-dimethyl- |
C22H28O6 |
388.45 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)O)OC)OC)OC)OC)O |
|
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
|
TCMBANKIN038240 |
Tanshinaldehyde |
|
|
310.344 |
|
|
TCMBANKIN038275 |
(+)-medioresinol |
(+)-Medioresinol di-O-beta-D-glucopyranoside_qt |
C21H24O7 |
388.41 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
|
TCMBANKIN038286 |
medicarpin |
(-)-Demethylhomopterocarpin; (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol; Demethylhomopterocarpin; (-)-Medicarpin; AIDS031298; C10503; (-) Medicarpin; l-3-Hydroxy-9-methoxypterocarpan; NSC350085; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol; 6H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; NCI60_003118; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol; AIDS-031298; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; (l)-De-o-methylhomopterocarpan; (-)-3-Hydroxy-9-methoxypterocarpan; 3-Hydroxy-9-methoxypterocarpan, (-); MEGxp0_001319; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol; medicarpin; CHEBI:16114; 32383-76-9; ACon1_001568 |
C16H14O4 |
270.28 |
c1(O[H])c([H])c(OC([H])([H])[C@@]([H])(c2c(c([H])c(OC([H])([H])[H])c([H])c2[H])O3)[C@@]34[H])c4c([H])c1[H] |
|
TCMBANKIN038346 |
Sagittatoside B |
|
C32H38O13 |
631 |
c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]4
([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H] |
|
TCMBANKIN038399 |
α-Santalene |
ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE |
|
204.35 |
|
|
TCMBANKIN038435 |
coniferin |
24-ethyl-5-bravery were steroids-3 beta alcohol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol; 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside; (2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2-methoxyphenyl (VAN); (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol; 531-29-3; ACon1_002032; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]oxane-3,4,5-triol; MLS000563468; CHEBI:16220; Coniferin; Coniferyl alcohol beta-D-glucoside; C00761; MEGxp0_000873; SMR000470885 |
C16H22O8 |
342.341 |
c1(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C([H])([H])O[H])c([H])c1[H] |
|
TCMBANKIN038542 |
Isoprincepin |
|
|
494.49 |
|
|
TCMBANKIN038593 |
8-methoxy-9-hydroxythymol |
|
C11H16O3 |
196.27 |
|
|
TCMBANKIN038671 |
γ-Cadinene |
γ- Cadinene; γ-Cadinene; γ- cadinene |
|
204.35 |
|
|
TCMBANKIN038683 |
Piperundecalidine |
|
|
367.5 g/mol |
|
|
TCMBANKIN038711 |
Columbamine |
BDBM50226664; Dibenzo[a,g]quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; SCHEMBL422073; HY-N0926; AKOS030526792; CS-4254; STOCK1N-48595; 5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium; FT-0723334; 3621-36-1; 7T4808FEJW; 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium; AC1Q7BDJ; CHEBI:15920; KS-00000TTK; DTXSID80189766; 3,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium-2-ol; CTK4H6087; AC1L2HU1; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; C01795; 5,6-Dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium iodide; columbamine ; MCULE-1960820824; 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol; UNII-7T4808FEJW; Dehydroisocorypalmine; 7,8,13,13a-tetradehydro-2-hydroxy-3,9,10-trimethoxyberbinium; MolPort-002-523-367; YYFOFDHQVIODOQ-UHFFFAOYSA-O; Dibenzo[a,g]quinolizinium,5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; LS-182873; ZINC338120; AK547771; Columbamine; 9161AF; CHEMBL400345 |
C20H20NO3 |
323 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C2=C3[H])=C34)c4c([H])c1[H] |
|
TCMBANKIN038713 |
Syringetin |
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; syringetin; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-; ST5331606; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one; CHEBI:18215; 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone; 4423-37-4; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; C11620; 3',5'-O-Dimethylmyricetin |
|
346.29 |
|
|
TCMBANKIN038753 |
8-hydroxypinoresinol |
|
C20H22O7 |
374.384 |
O1[C@]([H])(c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])[C@@](O[H])(C([H])([H])O[C@@]3([H])c4c([H])c(OC([H])([H])[H])c(O[H])c([H])c4[H])[C@]3([H])C1([H])[H] |
|
TCMBANKIN038754 |
Arctiin |
4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone; 2-(hydroxymethyl)-6-methyloxane-3,4,5-triol; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one; AIDS-002468; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI); Arctiin (8CI); 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one; AIDS002468; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one; NSC 315527; ACon1_001261; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one; 2-(hydroxymethyl)-6-methyl-oxane-3,4,5-triol; MEGxp0_000527; A814488 |
C27H34O11 |
535 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])
c([H])c3[H])c([H])c([H])c1OC([H])([H])[H] |
|
TCMBANKIN038758 |
regaloside B |
regaloside b |
C20H26O11 |
442.41 |
CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN038827 |
trans-limonene oxide |
|
C10H16O |
152.233 |
[C@]12([H])[C@@](C([H])([H])[H])(O1)C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])=C([H])[H])C2([H])[H] |
|
TCMBANKIN038837 |
n-methyltyramine |
Methyl-4-tyramine; 370-98-9; N-methyltyraminium cation; C02442; 4-(2-methylaminoethyl)phenol; Phenol, 4-(2-(methylamino)ethyl)- (9CI); A823530; p-(2-(Methylamino)ethyl)phenol; 4-[2-(methylamino)ethyl]phenol; CHEBI:58155; PHENOL, p-(2-METHYLAMINOETHYL)-; N-methyltyraminium; Phenol, p-[2-(methylamino)ethyl]-; BRN 2357129; NMT; N-Methyltyramine; 2-(4-hydroxyphenyl)ethyl-methylammonium; WIN 5582; 2-(4-hydroxyphenyl)ethyl-methyl-azanium; NSC113958; p-[2-(Methylamino)ethyl]phenol; Tyramine, N-methyl-; p-(2-Methylaminoethyl)phenol; EINECS 206-731-3; 4-13-00-01790 (Beilstein Handbook Reference); 4-Hydroxy-N-methylphenethylamine; CHEBI:17458; N-methyltyraminium(1+); NSC 113958; Phenol, 4-[2-(methylamino)ethyl]-; 2-(4-hydroxyphenyl)-N-methylethanaminium |
C9H13NO |
151.21 |
CCC(C)C(=O)N |
|
TCMBANKIN038849 |
Erythrocentaurin |
Erythrocentaurine; AKOS032949101; 5-Formyl-3,4-dihydroisocoumarin; AC1L4RWZ; 3,4-Dihydro-1-oxo-1H-2-benzopyran-5-carbaldehyde; 1-Oxo-3,4-dihydro-1H-isochromene-5-carbaldehyde #; CTK4J2377; 295RS6D94V; 1-oxo-3,4-dihydroisochromene-5-carbaldehyde; CHEMBL3397161; DTXSID30198282; UNII-295RS6D94V; 1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-1-oxo-; 1-oxoisochroman-5-carbaldehyde; erythrocentaurin; 50276-98-7; AC1Q6Q8L; SCHEMBL1649253; 1-oxo-5-isochromancarboxaldehyde; TUADBWMDDLWUME-UHFFFAOYSA-N; ZINC3652723; 1-ketoisochroman-5-carbaldehyde |
C10H8O3 |
176.17 |
C1COC(=O)C2=CC=CC(=C21)C=O |
|
TCMBANKIN038858 |
sanjoinine G1 |
sanjoinine g1 |
C31H44N4O5 |
552.7 |
CC(C)CC1C(=O)NCC(C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C)O |
|
TCMBANKIN038904 |
Praeruptorin D |
praeruptorin d |
|
426.46 |
|
|
TCMBANKIN038964 |
isoscoparin |
20013-23-4; Chrysoeriol 6-C-glucoside; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol; C-Glucosyl-6 chrysoeriol; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; C05990; LMPK12110738; CHEBI:18200; isoscoparin; Isoscoparine |
C22H22O11 |
462.403 |
c1([C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(O[H])c([H])c(OC(c3c([H])c(OC([H])([H])[H])c(O[H])c([H])c3[H])=C([H])C4=O)c4c1O[H] |
|
TCMBANKIN038973 |
Cernuoside |
|
|
448.4 g/mol |
|
|
TCMBANKIN038997 |
cajinin |
Cajanin; Cajinin; 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromone; 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one; C10203; 32884-36-9; 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromenone; 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one |
C16H12O6 |
300.26 g/mol |
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O |
|
TCMBANKIN039030 |
asterin B |
asterin b |
C26H35N5O8 |
545.58 |
CNC1CCC2(C3CC4=C5C2(C1OC5=CC=C4)CCN3CC6CC6)O |
|
TCMBANKIN039051 |
Glyzaglabrin |
7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone; AC1NSW1C; LMPK12050085; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)-4-chromenone; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromone; glyzaglabrin |
C16H10O6 |
298.25 g/mol |
C1OC2=C(O1)C(=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O |
|
TCMBANKIN039084 |
GA16 |
|
C19H24O6 |
348.39 |
C1([H])([H])[C@]([H])(O[H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@]([H])(C(=C([H])[H])C4([H])[H])C([H])([H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN039128 |
Isofucosterol |
C08812; (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; C08821; AIDS113090; 481-14-1; isofucosterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; AIDS-113090; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 18472-36-1; delta5-Avenasterol |
C29H48O |
412.69 |
CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN039135 |
acetylbinankadsurin A |
acetylbinankadsurin a |
C24H28O8 |
444.47 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)O)OC)OC |
|
TCMBANKIN039204 |
berberrubine |
|
C19H16NO4 |
323 |
c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(=C([H])c(c(O[H])c(OC([H])([H])[H])c([H])c4[H])c45)C3=C5[H])c2[H] |
|
TCMBANKIN039229 |
Oxychelerythrine |
28342-33-8; AKOS032948933; LS-52943; AC1L3UTW; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one; ZINC900932; DTXSID70182584; SCHEMBL10633372; Dihydrooxochelerythrine; 1,2-Dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-13(12H)-one; C12225; BRN 0345198; MolPort-039-338-210; CCRIS 3805; CHEBI:31141; 17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAEN-20-ONE; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl- (9CI); oxychelerythrine; Oxycheleritrine; [1,3]Benzodioxolo[5,6-c]phenanthridin-13(12H)-one,1,2-dimethoxy-12-methyl-; Chelerythrine, 12,13-dihydro-13-oxo-; 6-Oxochelerythrine; 4-27-00-06655 (Beilstein Handbook Reference); 7,8-dimethoxy-2,3-methylenedioxy-5-methylbenzo [c]phenanthridin-6(5h)-one; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl- |
C21H17NO5 |
363.36 |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C(=C(C=C5)OC)OC |
|
TCMBANKIN039253 |
Styracin |
ZINC1677825; SCHEMBL112365; MolPort-002-129-968; ST5411682; styracin; 40918-97-6; STL382164; Cinnamic Acid Cinnamyl Ester; BBL027931; Cinnamyl alcohol, cinnamate; (E)-Cinnamyl-(E)-Cinnamate; MolPort-009-245-995; EINECS 204-566-1; (E)-3-phenylacrylic acid [(E)-3-phenylprop-2-enyl] ester; 3-phenylacrylic acid 3-phenylprop-2-enyl ester; BG00615170; LS-2629; 3-Phenylallyl cinnamate; NSC46161; CBDivE_001756; Cinnamyl cinnamate; MFCD00037826; NQBWNECTZUOWID-MZXMXVKLSA-N; RTR-003621; 3-Phenyl-2-propen-1-yl 3-phenylpropenoate; (2E)-3-phenylprop-2-enyl (2E)-3-phenylacrylate; CINNAMIC ACID, CINNAMYL ESTER; 3-Phenyl-2-propenyl 3-phenyl-2-propenoate #; PubChem8147; AKOS001579504; A804947; FEMA No. 2298; J-520053; 3-Phenyl-2-propen-1-yl cinnamate; (E)-3-phenyl-2-propenoic acid [(E)-3-phenylprop-2-enyl] ester; AI3-02445; BB_NC-1281; Cinnamic acid 3-phenyl-2-propenyl ester; Cinnamylester kyseliny skoricove [Czech]; NQBWNECTZUOWID-UHFFFAOYSA-N; Cinnamyl .beta.-phenylacrylate; Cinnamyl cinnamate (natural); 3-phenylprop-2-enyl 3-phenylprop-2-enoate; WLN: R1U2OV1U1R; CCRIS 904; (E)-3-phenylprop-2-enoic acid [(E)-3-phenylprop-2-enyl] ester; 122-69-0; F1438569N2; RP17599; TR-003621; Z3646; CINNAIC ACID CINNAMYL ESTER; CHEMBL1095954; 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propen-1-yl ester; Cinnamylester kyseliny skoricove; W229806_ALDRICH; 3-Phenyl-2-propen-1-yl 3-phenyl propenoate; AK114171; Cinnamic acid, cinnamyl ester; (2E)-3-phenylprop-2-en-1-yl (2E)-3-phenylprop-2-enoate; 3-Phenyl-2-propenyl 3-phenyl-2-propenoate; CJ-27457; UNII-F1438569N2; [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate; ZINC01677825; CJ-06231; KB-251185; NSC 46161; (E)-cinnamyl (E)-cinnamate; SR-01000395290; 3-Phenyl allyl cinnamate; 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester; Phenylallyl cinnamate; Cinnamyl cinnamate, mixture of isomers, >=95%, FG; AC1LT45W; 3-phenylprop-2-enyl cinnamate; Cinnamyl beta-phenylacrylate; SR-01000395290-1; 3-phenylprop-2-enoic acid 3-phenylprop-2-enyl ester |
C18H16O2 |
264.32 |
C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2 |
|
TCMBANKIN039269 |
Schisandrol |
schisandrol |
C24H32O7 |
432.51 |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)O)OC)OC)OC)OC)O |
|
TCMBANKIN039283 |
m-Ethylphenol |
FT-0628787; DSSTox_CID_2480; 3-Ethylphenol, >=95.0% (GC); MFCD00002311; Phenol, m-ethyl- (8CI); MCULE-6091136568; CHEMBL58052; TL8004015; SCHEMBL51757; DB-030920; KB-31678; KB-203153; 281417_ALDRICH; 3-Ethylphenol 100 microg/mL in Methanol; ACMC-209myx; ANW-34039; CAS-620-17-7; Phenol, m-ethyl-; 04688_FLUKA; InChI=1/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H; ALBB-026446; 3-ETHYL PHENOL; Benzene, 1-ethyl-3-hydroxy-; AI3-19938; 3-Ethyl-phenol; 3-Ethylphenol; BIDD:ER0180; NSC-8873; ST24042146; CHEBI:34332; NSC8873; UNII-C27Y543KVA component HMNKTRSOROOSPP-UHFFFAOYSA-N; 3-ETHYLPHENOL; DTXSID0022480; DSSTox_RID_76600; UNII-0G9ZK222JX; NCGC00249086-01; NCGC00256388-01; AC1Q2TW6; HMNKTRSOROOSPP-UHFFFAOYSA-N; Tox21_302992; 3-Ethylphenol, technical grade, 80%; I01-7336; LS-179861; AK-76825; m-Ethyl phenol; MolPort-001-791-375; KS-000010X9; 3-Ethylphenol, PESTANAL(R), analytical standard; AKOS000120810; Ambap620-17-7; 0G9ZK222JX; KSC238O1R; SC-27057; 36723_RIEDEL; AN-21981; PubChem10772; CJ-05938; C14386; Q-200377; 3-Ethylphenol, 99%; Phenol, 3-ethyl-; EINECS 210-627-3; CJ-26655; HSDB 5720; ZINC01648289; NCGC00259172-01; E0161; 620-17-7; AJ-28742; RT-000967; RP19475; m-ethylphenol; 1-Ethyl-3-hydroxybenzene; AS04468; AC1L1YUL; STL481945; DSSTox_GSID_22480; A8582; Tox21_201623; ZINC1648289; 1-Hydroxy-3-ethylbenzene; NSC 8873; meta-Ethylphenol |
C8H10O |
122.16 |
CCC1=CC(=CC=C1)O |
|
TCMBANKIN039311 |
Sarisan |
NSC44848; Benzene, 1-allyl-2-methoxy-4,5-methylenedioxy; C10493; 5-methoxy-6-prop-2-enyl-1,3-benzodioxole; sarisan; NSC 27868; NSC27868; 1,3-Benzodioxole, 5-methoxy-6-(2-propenyl)-; AI3-31217; 5-allyl-6-methoxy-1,3-benzodioxole; 18607-93-7; 1-Allyl-2-methoxy-4,5-(methylenedioxy)benzene |
C11H12O3 |
192.211 |
c1([H])c(C([H])([H])C([H])=C([H])[H])c(OC([H])([H])[H])c([H])c(OC([H])([H])O2)c12 |
|
TCMBANKIN039345 |
LOLIOLIDE |
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 1,3-Dihydroxy-3,5,5-trimethylcyclohexylidene-4-acetic acid lactone; (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one; loliolide; 11028-27-6; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S-cis)-; NSC 289632 |
C11H16O3 |
196.24 |
CC1(CC(CC2(C1=CC(=O)O2)C)O)C |
|
TCMBANKIN039387 |
Furanodiene |
(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 4CN-2047; ZINC33831282; 57566-47-9; 19912-61-9; cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E)-; (5E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; AC1NSVKM; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; LS-55942; furanodiene; 3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9Z)-; InChI=1/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6; Germacra-1(10),4,7,11-tetraene, 8,12-epoxy-, (Z,E)- |
C15H20O |
216.32 |
CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
|
TCMBANKIN039437 |
hexahydrocurcumin |
HY-N0929; AKOS028109862; CHEMBL479650; (RS)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone; CS-4377; CHEBI:81358; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one; NP-003852; MEGxp0_001211; DTXSID00415731; AC1NSWAP; Hexahydrocurcumin; SCHEMBL290121; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-one; 9555AF; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one; (hexahydrocurcumin); Hexahydrocurcumin, analytical standard; 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-; C17826; MolPort-001-741-439; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxylphenyl)-3-heptanone |
C21H26O6 |
374.428 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H] |
|
TCMBANKIN039463 |
Isobetanidin |
|
|
388.33 |
|
|
TCMBANKIN039554 |
hexanoic acid |
(C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate |
C6H12O2 |
116.158 |
C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
|
TCMBANKIN039559 |
(S)-tryptophan-betaxanthin |
|
C20H20N3O6 |
399 |
c1([H])c([H])c([H])c(c(C([H])([H])[C@]([H])(C(O[H])=O)N([H])=C([H])\C([H])=C(/C2([H])[H])\C([H])=C(C(O[H])=O)N([H])[C@]2([H])C(O[H])=O)c([H])n3[H])c3c1[H] |
|
TCMBANKIN039699 |
GA77 |
|
C19H24O6 |
348.4 g/mol |
CC12CCCC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O |
|
TCMBANKIN039836 |
preleoheterin |
epi-preleoheterin |
C20H30O4 |
334 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]2(O[C@@]3(C([H])=C([H])OC3([H])[H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C4=O)[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H]
)[H] |
|
TCMBANKIN039849 |
Divaricatol |
|
|
334.3 g/mol |
|
|
TCMBANKIN039900 |
Futokadsurin C |
futokadsurin c |
|
356.4 g/mol |
|
|
TCMBANKIN039998 |
coniferyl ferulate |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenyl ester; [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 63644-62-2; coniferyl ferulate; [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
C20H20O6 |
356.369 |
c1(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C(=O)OC([H])([H])\C([H])=C([H])\c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H] |
|
TCMBANKIN040009 |
dehydrodiisoeugenol |
|
C20H22O4 |
326.39 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN040017 |
stizolamine |
|
C7H11N5O2 |
197.19 |
CN1C(=CN=C(C1=O)N=C(N)N)CO |
|
TCMBANKIN040061 |
Przewaquinone B |
przewaquinone b; 14-(HYDROXYMETHYL)-6-METHYL-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),3,5,8,11(15),13-HEPTAENE-16,17-DIONE; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g]benzofuran-10,11-dione; CETREAVXUDHZGK-UHFFFAOYSA-N; AC1LDNAN; 6-methyl-1-methylol-naphtho[1,2-g]benzofuran-10,11-quinone; 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione; SCHEMBL16152288; 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione #; 1-(hydroxymethyl)-6-methyl-naphtho[1,2-g]benzofuran-10,11-dione; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzofuran-10,11-dione; 76829-01-1; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzoxole-10,11-dione; 1-(hydroxymethyl)-6-methyl-naphtho[1,2-g][1]benzoxole-10,11-dione |
|
292.285 |
|
|
TCMBANKIN040080 |
regaloside D |
regaloside d |
C18H24O10 |
400.38 |
C1=CC(=CC=C1C=CC(=O)OC(CO)COC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN040366 |
Licoflavonol |
licoflavonol; 3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromone; AIDS-095974; AIDS095974; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; 60197-60-6 |
C20H18O6 |
354.35 |
CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN040391 |
Germacrene D |
C16142; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene; germacrene-d; (-)-Germacrene D; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-yl-cyclodeca-1,6-diene; germacrene d; Germacrene- D; GermacreneD; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene; nchembio.2007.29-comp4 |
C15H24 |
204.351 |
C1([H])([H])C(=C([H])[H])\C([H])=C([H])\[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C1([H])[H] |
|
TCMBANKIN040452 |
Oxyphyllenone B |
oxyphyllenone b |
|
210.27 |
|
|
TCMBANKIN040493 |
phellodensin c |
phellodensin-c |
C20H20O7 |
372.4 g/mol |
CC(C)(C1CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)O |
|
TCMBANKIN040539 |
lappaol D |
C17812; CHEBI:81350; lappaol d |
C31H36O10 |
569 |
c1([C@@]([H])(C([H])([H])O[H])[C@]([H])(c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])O[H])c([H])c(C([H])([H])[C@]3(C(=O)OC([H])([H])[C@]3([H])C([H])([H])c4c([H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[
H])c4[H])[H])c([H])c(OC([H])([H])[H])c1O[H] |
|
TCMBANKIN040550 |
Glyasperin C |
4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]benzene-1,3-diol; AIDS-096014; 4-[(R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-benzene-1,3-diol; 4-((R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-benzene-1,3-diol; 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3-chromanyl]benzene-1,3-diol; AIDS096014; 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]resorcinol; 142474-53-1; glyasperin c |
C21H24O5 |
356.41 |
CC(=CCC1=C(C2=C(C=C1O)OCC(C2)C3=C(C=C(C=C3)O)O)OC)C |
|
TCMBANKIN040555 |
genkdaphin |
(1R,3aS,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one; Genkdaphin |
C20H16O7 |
368.337 |
C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=C6C(=CC=C5)OCO6 |
|
TCMBANKIN040571 |
4,7-dimethyl-1-tetralone |
|
C12H14O |
174.24 g/mol |
CC1CCC(=O)C2=C1C=CC(=C2)C |
|
TCMBANKIN040635 |
Americanin A |
americanin a |
|
328.32 |
|
|
TCMBANKIN040686 |
Flavaspidinin |
flavaspidinin |
C23H30O8 |
434.479 |
C1(O[H])=C(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C(C([H])([H])c2c(O[H])c(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])c(O[H])c([H])c2OC([H])([H])[H])=C(O[H])[C@@]1([H])C([H])([H])[H] |
|
TCMBANKIN040687 |
cis-dihydrocarvone |
(2S,5R)-5-isopropenyl-2-methyl-1-cyclohexanone; (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one; ZINC00967813; (2S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; LMPR01020084; (1S,4R)-Iso-dihydrocarvone; (2S,5R)-5-isopropenyl-2-methyl-cyclohexan-1-one; C11401; (Z)-dihydrocarvone |
C10H16O |
152.233 |
C1([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C1=O |
|
TCMBANKIN040705 |
Licoisoflavone B |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl; AIDS071701; 66056-30-2; AIDS-071701 |
|
352.34 |
|
|
TCMBANKIN040724 |
gamma-tocotrienol |
CHEBI:33277; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol; (R)-gamma-Tocotrienol; (R-(E,E))-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol; C14155; Plastochromanol 3; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-; 2H-1-benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-; 7,8-Dimethyltocotrienol; 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)- (7CI,8CI); 14101-61-2; D-gamma-Tocotrienol; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-6-chromanol; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI) |
C28H42O2 |
411 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H
])[H])\C([H])([H])[H])O2)c2c(C([H])([H])[H])c1C([H])([H])[H] |
|
TCMBANKIN040747 |
Epiberberine |
SMR000232286; AK199153; BDBM50986; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0_,__.0?,?.0_?,_?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; SC-81909; ZINC6017816; CTK5C8375; FT-0688286; Epiberberine; DTXSID90218854; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; MolPort-039-052-346; HMS3358O04; AKOS025149077; GNF-Pf-2355; 8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium; epiberberine ; NCGC00247623-01; CHEMBL1197637; N2453; HMS2229E04; 6873/9/2; MLS000563434; Benz(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 11,12-dihydro-8,9-dimethoxy-; AC1L4ODP; HY-N0226; cid_160876; AC1Q701H |
|
337 |
|
|
TCMBANKIN040764 |
Sanjoinenine |
|
|
489.61 |
|
|
TCMBANKIN040829 |
Osmanthuside H |
MCULE-5110415165; (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol; AC1L4UBU; (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol; osmanthuside h; NP-000084; NCGC00180444-01; (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol; MolPort-001-740-211; ACon1_001497; 2-(4-Hydroxyphenyl)ethyl-beta-D-apiosyl-(1-6)-beta-D-glucopyranoside; ZINC31154941; Osmanthuside H, >=95% (LC/MS-ELSD); (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OXY}METHYL)-6-[2-(4-HYDROXYPHENYL)ETHOXY]OXANE-3,4,5-TRIOL; 149155-70-4; MEGxp0_000044; NCGC00180444-02!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol; (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol |
C19H28O11 |
432.42 |
C1C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)(CO)O |
|
TCMBANKIN040831 |
tricin |
NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate |
C17H14O7 |
330.289 |
c1(O[H])c(OC([H])([H])[H])c([H])c(C2=C([H])C(=O)c3c(c([H])c(O[H])c([H])c3O[H])O2)c([H])c1OC([H])([H])[H] |
|
TCMBANKIN040843 |
Kaempferol-3-arabofuranoside |
kaempferol-3-arabofuranoside |
C20H18O10 |
418.351 |
c1([H])c(O[H])c(C(=O)C(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)=C(c3c([H])c([H])c(O[H])c([H])c3[H])O4)c4c([H])c1O[H] |
|
TCMBANKIN040907 |
Ayanin |
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-chromenone; 3',5-Dihydroxy-3,4',7-trimethoxyflavone; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one; CHEBI:27825; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; 572-32-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one; NCI60_032905; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one; NSC691652; ayanin; 4H-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4methoxyphenyl)-3,7-dimethoxy-; C04444; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromone; 3,7,4'-Tri-O-methylquercetin |
C18H16O7 |
344.32 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O |
|
TCMBANKIN040909 |
GA69 |
|
C19H24O5 |
332.391 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN041080 |
β-amyrin acetate |
Acetic acid oleana-12-ene-3alpha-yl ester; b—Amyrin-acetate; beta-amyrin acetate; 3β-O-acetoxyolean-12-en- 28-oic acid; β- amyrin acetate; beta-amyrin acetate ; beta-Amyrin acetate |
C32H52O2 |
468.75 |
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
|
TCMBANKIN041140 |
Biflorin |
5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 89701-85-9; C08996; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; biflorin; 6beta-C-Glucopyranosyl-5,7-dihydroxy-2-methylchromone; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C16H18O9 |
354.309 |
c1([C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(O[H])c(C(=O)C([H])=C(C([H])([H])[H])O3)c3c([H])c1O[H] |
|
TCMBANKIN041188 |
Ledebouriellol |
|
|
374.384 |
|
|
TCMBANKIN041194 |
Lappaol E |
lappaol e |
C30H34O10 |
554.59 |
COC1=C(C=CC(=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O |
|
TCMBANKIN041250 |
Corydaline |
518-69-4; CORYDALINE; C15530; NSC 406036; CHEMBL1209608; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-E)-; 13abeta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl- (8CI); MEGxp0_000624; AC1NSTV0; 2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol; SCHEMBL12667453; 2,3,9-Trimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-10-ol; 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)- (9CI); 13a-beta-Berbine, 2,3,9,10-tetramethoxy-13-alpha-methyl- (8CI); ACon1_000349; BRN 0096972; CHEBI:14027; 5-21-06-00173 (Beilstein Handbook Reference); ACon0_001192 |
C22H27NO5 |
385.453 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])c(c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])c2[C@]3([H])OC([H])([H])[H])[C@@]34[H])c4c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041280 |
Licochalcone B |
licochalcone b; AIDS095932; 3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 58749-23-8; (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)propenone; (E)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone; 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; AIDS-095932 |
|
286.279 |
|
|
TCMBANKIN041369 |
7-acetoxy-8-hydroxy-9-isobutyryloxythymol |
|
C16H22O6 |
310.342 |
c1([H])c(C([H])([H])OC(C([H])([H])[H])=O)c([H])c(O[H])c([C@@](O[H])(C([H])([H])[H])C([H])([H])OC(C([H])(C([H])([H])[H])C([H])([H])[H])=O)c1[H] |
|
TCMBANKIN041379 |
1-ketoisocryptotanshinone |
1-keto-isocryptotanshinone |
C19H18O4 |
310.37 |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4=O)(C)C |
|
TCMBANKIN041394 |
Przewaquinone F |
|
|
312.3 g/mol |
|
|
TCMBANKIN041402 |
chlorogenic acid |
3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
C16H18O9 |
354.309 |
C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
|
TCMBANKIN041417 |
piperkadsin B |
|
C24H30O7 |
430 |
c1(OC([H])([H])[H])c([H])c([C@]([H])(OC(C([H])([H])[H])=O)[C@@]([H])(C([H])([H])[H])[C@]2(C([H])([H])C([H])=C([H])[H])C(=O)C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])c([H])c([H])c1OC([H])([H])[
H] |
|
TCMBANKIN041666 |
Machilin D |
machilin d |
C20H24O5 |
344.4 |
CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)O)OC)O)OC |
|
TCMBANKIN041841 |
Sumatrol |
C10532; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy-, (-)-; sumatrol; 82-10-0; SpecPlus_000445; (-)-sumatrol; DivK1c_006541; (-)-11-hydroxyrotenone; KBio1_001485 |
|
410.42 |
|
|
TCMBANKIN041910 |
Artepillin A |
artepillin a |
|
316.4 g/mol |
|
|
TCMBANKIN041934 |
Pipercide |
|
|
355.47 |
|
|
TCMBANKIN041971 |
MALABARICONE B |
1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one; 63335-24-0; AIDS133722; NSC630196; AIDS-133722; 1-Nonanone, 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)-; 1-(2,6-Dihydroxyphenyl)-9-(4-hydroxyphenyl)-1-nonanone; NSC287967 |
C21H26O4 |
342.43 |
C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC=C(C=C2)O)O |
|
TCMBANKIN041972 |
1,7-Dihydroxy-3,9-dimethoxy pterocarpene |
1,7-dihydroxy-3,9-dimethoxy pterocarpene; 3,9-dimethoxy-6H-benzofurano[3,2-c]chromene-1,7-diol; 3,9-dimethoxy-6H-[1]benzoxolo[3,2-c]chromene-1,7-diol |
|
314.31 |
|
|
TCMBANKIN042017 |
suspenolic acid |
suspenolicacid |
C10H14O4 |
198.22 g/mol |
CC(=O)OC1CCC(=CC(=O)O)CC1 |
|
TCMBANKIN042129 |
1,3-dimethoxy-2-o-beta-xylo-pyranosyl-5-o-beta-glucopyranosyl-benzene |
|
|
478.5 |
|
|
TCMBANKIN042156 |
Tripteroside |
Norathyriol-6-O-beta-D-glucoside; 2,6,8-trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside; AC1NQYUG; tripteroside; DTXSID60415171; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthone; CHEBI:9746; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-xanthen-9-one; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one; 1,3,7-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9-xanthenone; C10095; 1,3,7-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one; 82855-00-3 |
|
422.34 |
|
|
TCMBANKIN042164 |
sanggenol A |
sanggenol a |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
TCMBANKIN042171 |
Plantainoside A |
plantainoside a |
|
478.4 g/mol |
|
|
TCMBANKIN042231 |
amygdalin |
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile; (2R)-2-phenyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; ethane; 2-(hydroxymethyl)-6-[[6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol; methanenitrile; methylbenzene; molecular hydrogen; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile; C08325; CHEBI:17019; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; 29883-15-6; STOCK1N-52529; (-)-D-mandelonitrile beta-D-gentiobioside; (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile; A820093; SMP1_000103; Amygdalin; ethane; formonitrile; 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)-2-oxanyl]methoxymethyl]oxane-3,4,5-triol; molecular hydrogen; toluene |
C20H27NO11 |
457.43 |
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O |
|
TCMBANKIN042248 |
kaempferol 3-o-bata-d-galactopyranoside |
|
|
448.41 |
|
|
TCMBANKIN042326 |
2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chromone |
2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chro-mone |
C24H36O4 |
388.6 |
|
|
TCMBANKIN042372 |
Preskimmianine |
|
|
303.35 |
|
|
TCMBANKIN042439 |
Icaride A2 |
icaride a2 |
|
436.5 |
COC1=CC(=CC(=C1O)OC)C2C(C(C(O2)C3=CC(=C(C(=C3)OC)O)OC)CO)CO |
|
TCMBANKIN042452 |
piperlonguminine |
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5950-12-9; Piperlonguminine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide; NSC125178; 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide |
C16H19NO3 |
273.33 g/mol |
CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN042478 |
tetrahydroreticuline |
|
C19H22NO4 |
329 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])=C2C([H])([H])c3c([H])c(O[H])c(OC([H])([H])[H])c([H])c3[H])c2c([H])c1O[H] |
|
TCMBANKIN042512 |
Hexyl-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranoside |
hexyl-beta-d-glucopyranosyl-(1-2)-beta-d-glucopyranoside |
C18H34O11 |
384.376 |
O([C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O1)C([H])([H])C([H])([H])C([H])
([H])C([H])([H])C([H])([H])C([H])([H])[H] |
|
TCMBANKIN042524 |
gamma-curcumene |
|
C15H24 |
204.351 |
C([H])([H])([C@@]([H])(C([H])([H])[H])C(C([H])([H])C([H])([H])C(C([H])([H])[H])=C1[H])=C1[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN042527 |
Dehydropipernonaline |
|
|
339.43 |
|
|
TCMBANKIN042567 |
1 beta,4 beta,7 alpha-trihydroxyeudcsmane |
|
C15H28O3 |
256.381 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@](O[H])(C([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN042631 |
Picropodophyllone |
isopicropodophyllone |
|
412.39 |
|
|
TCMBANKIN042658 |
Regaloside A |
AC1O8LCP; regaloside a; NCI60_008362; [(2S)-2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 3-(4-hydroxyphenyl)prop-2-enoate |
|
400.38 |
|
|
TCMBANKIN042715 |
isosalvianolic acid c |
isosalvianolicacid c |
C26H20O10 |
492.4 g/mol |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=CC4=CC(=C(C=C4OC3=C(C=C2)O)O)O)O)O |
|
TCMBANKIN042731 |
Hemiariensin |
|
|
400.42 |
|
|
TCMBANKIN042748 |
kadsurin B |
|
C21H26O6 |
374.4 g/mol |
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN042858 |
Luteolin |
Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone |
C15H10O6 |
286.236 |
c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
|
TCMBANKIN042871 |
kuwanon A |
kuwanon a |
C25H24O6 |
420.45 |
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C |
|
TCMBANKIN042874 |
baimuxinal |
CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal |
C15H24O2 |
236.35 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
|
TCMBANKIN042881 |
Mono-O-methylwightin |
2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one; 2-(2,3-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one; LMPK12111317; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4-chromenone; mono-o-methylwightin; AC1NSYRB; 5-hydroxy-7,8,2',3'-tetramethoxyflavone; SCHEMBL15572930; 5-Hydroxy-2',3',7,8-tetramethoxyflavone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one |
C19H18O7 |
358.3 g/mol |
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
|
TCMBANKIN042902 |
plantasioside |
|
C23H24O11 |
476.43 |
C1([H])([H])O[C@]([H])(O[C@]([H])(C([H])([H])OC(\C([H])=C([H])\c2c([H])c([H])c(O[H])c(O[H])c2[H])=O)[C@@]([H])(O[H])[C@]3([H])O[H])[C@]3([H])O[C@@]1([H])c4c([H])c([H])c(O[H])c(O[H])c4[H] |
|
TCMBANKIN043018 |
1 beta,4 beta,7 beta-trihydroxyeudcsmane |
|
C15H28O3 |
256.381 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@](O[H])(C([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN043024 |
ivangustin |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(CC2(C(CC1)O)C)OC(=O)C3=C |
|
TCMBANKIN043038 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN043152 |
Amygdalinic acid |
|
C20H28O13 |
476 |
c1([H])c([H])c([H])c([C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(O
[H])=O)c([H])c1[H] |
|
TCMBANKIN043244 |
2,3-didehydro GA70 |
|
C19H22O5 |
330.375 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])C([H])=C1[H] |
|
TCMBANKIN043268 |
3-O-feruloylquinic acid |
3-o-feruloylquinicacid; 3-o-feruloylquinic acid |
C17H20O9 |
368.335 |
[C@@]1([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@@](C(=O)O[H])(O[H])C([H])([H])[C@@]1([H])OC(=O)\C([H])=C([H])\c(c([H])c2[H])c([H])c(OC([H])([H])[H])c2O[H] |
|
TCMBANKIN043270 |
p-Coumaric acid |
CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 |
C9H8O3 |
164.158 |
c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
|
TCMBANKIN043278 |
Ombuin |
NSC 675952; BDBM50240614; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; kaempferol-7,4'-dimethylether; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromone; CHEMBL75589; FLAVONE, 4',7-DIMETHOXY-3,3',5-TRIHYDROXY-; Quercetin 4',7-dimethyl ether; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one; Quercetin-7,4'-Dimethyl Ether; CHEBI:67493; AC1NSZAJ; DTXSID00200942; MolPort-039-338-131; LS-68977; Ambap529-40-8; Z3K3F0YR3W; CJ-26550; AIDS-071739; NSC-675952; NSC675952; ombuin; CTK8J0348; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one; OMBUINE; 3,5,3'-Trihydroxy-7,4'-dimethoxyflavone; 4',7-Dimethoxy-3,3',5-trihydroxyflavone; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-; 529-40-8; ZINC1645590; 4',7-Dimethylquercetin; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-chromenone; LMPK12112652; 5-18-05-00498 (Beilstein Handbook Reference); quercetin 7,4'-dimethyl ether; UNII-Z3K3F0YR3W; 7,4'-dimethylquercetin; AIDS071739; BRN 0338215; 4'',7-dimethylquercetin; ST24041236; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromen-4-one; quercetin-7,4''-dimethyl ether; 7,4'-Di-O-methylquercetin; 3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromen-4-one; SCHEMBL1252211 |
C17H14O7 |
330.29 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O |
|
TCMBANKIN043304 |
Croweacin |
croweacin; 4-Methoxy-5-(2-propen-1-yl)-1,3-benzodioxole; Benzene, 1-allyl-2-methoxy-3,4-(methylenedioxy)-; 5-allyl-4-methoxy-1,3-benzodioxole; UNII-WS97V62VOQ; 484-34-4; WS97V62VOQ; SCHEMBL2416220; 4-methoxy-5-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-5-(2-propenyl)-; 1,3-Benzodioxole, 4-methoxy-5-(2-propen-1-yl)-; AC1NSTXG |
C11H12O3 |
192.21 |
COC1=C(C=CC2=C1OCO2)CC=C |
|
TCMBANKIN043379 |
Menisporphine |
menisporphine; 83287-02-9; 5,10,11-TRIMETHOXY-16-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9(17),10,12,14-OCTAEN-8-ONE; BRN 5111080; LS-61247; DTXSID20232245; AC1L43II; CCRIS 3818; 7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy- |
|
321.33 |
|
|
TCMBANKIN043447 |
8-Prenylated eriodictyol |
|
|
356.4 |
|
|
TCMBANKIN043469 |
γ-Elemene |
O-Menth-8-ene, 4-isopropylidene-1-vinyl-; 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-cyclohexane; γ- elemene; γ--elemene; γ-Elernene |
|
204.35 |
|
|
TCMBANKIN043470 |
Irigenin |
548-76-5; CHEMBL487013; 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone; MFCD00597047; C17957; MCULE-8768527753; CCG-214382; AK554317; 6O4NX37350; SR-05000002617; DTXSID90203285; 5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone; Irigenin; SCHEMBL554864; EINECS 208-958-3; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-; NP-008092; UNII-6O4NX37350; 9569AF; SR-05000002617-1; AC1NUZ0N; CTK8J1984; AKOS030632868; MolPort-005-945-072; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromone; ZINC5732527; CHEBI:81409; LMPK12050417; 5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavone; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one; KS-00000TYP; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-chromenone |
|
360.315 |
|
|
TCMBANKIN043496 |
Sagittatoside A |
|
C33H40O15 |
677 |
c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]
4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H] |
|
TCMBANKIN043576 |
Myristargenol B |
myristargenol b |
|
346.42 |
|
|
TCMBANKIN043666 |
phellodendrine |
|
C20H24NO4 |
343 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])[N@H](C([H])([H])[H])(C([H])([H])c(c([H])c(OC([H])([H])[H])c(O[H])c2[H])c2C3([H])[H])[C@@]34[H])c4c([H])c1O[H] |
|
TCMBANKIN043673 |
ikarisoside C |
ikarisoside c |
C38H48O19 |
809 |
[C@]1(O[H])([H])[C@@](O[C@]2([H])[C@]([H])(O[H])[C@](O[H])([H])[C@@](C([H])([H])[H])([H])O[C@]2(OC(C(=O)c3c(c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[C@@]4([H])[C@@](O[H])([H])[C@](O[
H])([H])[C@@](O[H])([H])[C@](C([H])([H])O[H])([H])C4([H])[H])c([H])c3O[H])O5)=C5c(c([H])c6[H])c([H])c([H])c6O[H])[H])([H])O[C@@](O[H])([H])[C@](O[H])([H])[C@@]1(O[H])[H] |
|
TCMBANKIN043795 |
Gancaonin A |
5,7-Dihydroxy-4'-methoxy-6-prenylisoflavone; LMPK12050225; SCHEMBL572123; AC1NSVNM; 27762-99-8; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromone; gancaonin a; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone |
C21H20O5 |
352.38 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)OC)O)C |
|
TCMBANKIN043884 |
Licoisoflavone |
66056-19-7; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one; 3-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-1-benzopyran-4-one; licoisoflavone; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromenone; Licoisoflavone A; AIDS071699; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone; C10486; AIDS-071699 |
C20H18O6 |
354.35 |
CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C |
|
TCMBANKIN043931 |
Epimedin B |
epimedin b |
C38H48O19 |
808.78 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O |
|
TCMBANKIN043953 |
GA97 |
|
C20H28O6 |
364 |
[C@@]1([H])(O[H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]4([H])C(O[H])=O)[C@@]4([H])[C@@](C(O[H])=O)(C([H])([H])[H])C
1([H])[H] |
|
TCMBANKIN043969 |
Tangshenoside II |
AC1NT0OW; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(1-hydroxyprop-2-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol; tangshenoside ii |
C17H24O9 |
372.4 g/mol |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(C=C)O |
|
TCMBANKIN043990 |
Hiyodorilactone A |
hiyodorilactone a; MEGxp0_000031; (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester; (E)-4-hydroxy-2-methylol-but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester; [(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; C09475 |
|
420.45 |
|
|
TCMBANKIN044074 |
saucernetindiol |
|
|
344.44 |
|
|
TCMBANKIN044096 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN044142 |
kushenol A |
BDBM50377945; CHEMBL455679; 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(2S)-; AKOS032948966; Kushenol A; (2S)-5,7-DIHYDROXY-2-(2-HYDROXYPHENYL)-8-[(2R)-5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL]-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; 99217-63-7; kushenol a; ZINC33832185; BG01119345; MolPort-039-337-120; D0O0FA |
C25H28O5 |
408.5 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3O)C(=C)C)C |
|
TCMBANKIN044183 |
irisolidone |
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4-chromenone; Irisolidone; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromone; 2345-17-7; C10471; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one |
C17H14O6 |
314.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O |
|
TCMBANKIN044201 |
rotundene |
|
C15H24 |
204.35 |
CC1CCC2C1CC3CCC2(C=C3C)C |
|
TCMBANKIN044216 |
Neobavachalcone |
4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde; neobavachalcone; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-benzaldehyde; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]-2-methoxy-benzaldehyde; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-2-methoxybenzaldehyde |
|
298.29 g/mol |
|
|
TCMBANKIN044229 |
lup-20(29)-en-3-ol |
|
C30H50O |
426.72 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
|
TCMBANKIN044236 |
MALABARICONE C |
NSC287968; 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one; MEGxp0_000379; 63335-25-1; 1-Nonanone, 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)- |
C21H26O5 |
358.43 |
C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O |
|
TCMBANKIN044260 |
6-prenylated eriodictyol |
|
|
356.4 |
|
|
TCMBANKIN044294 |
Tuberostemospironine |
|
|
253.29 |
|
|
TCMBANKIN044324 |
castillicetin |
|
C24H16O10 |
464.4 g/mol |
C1=CC(=C(C=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O |
|
TCMBANKIN044361 |
salvianolic acid J |
|
C27H22O12 |
538.456 |
c1(O[H])c([H])c([H])c(C([H])([H])[C@]([H])(C(O[H])=O)OC(\C([H])=C([H])\c2c([H])c(O[C@@]([H])(C(O[H])=O)[C@@]([H])(c3c([H])c(O[H])c(O[H])c([H])c3[H])O4)c4c([H])c2[H])=O)c([H])c1O[H] |
|
TCMBANKIN044371 |
Noroxyhydrastinine |
7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; CTK4E7692; VSOJKDUWYQCWFM-UHFFFAOYSA-; noroxyhydrastinine; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline; 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one; NSC 201020; NSC-201020; InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12); 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE; AC1Q6NHB; AK396339; 1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; MolPort-000-881-842; CHEMBL449731; AC1L3H11; NSC201020; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-; ZINC1735195; MLS000546669; 2H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE; HMS2346J04; 21796-14-5; 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolin-5(6H)-one; DTXSID30176207; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one #; SCHEMBL564339; 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI); ACM21796145; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline; VSOJKDUWYQCWFM-UHFFFAOYSA-N; FCH843447; NP-006295; SMR000113841; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; NCGC00247079-01; AKOS000277625 |
|
191.18 |
|
|
TCMBANKIN044408 |
Licoagroisoflavone |
4-Hydroxy-6-(4-hydroxy-phenyl)-2-isopropenyl-2,3-dihydro-furo[3,2-g]chromen-5-one; 4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydro-5H-furo[3,2-g]chromen-5-one; (2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydrofuro[3,2-g]chromen-5-one; licoagroisoflavone; (2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one; 5H-furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R)-; 5''-(S)-5,4'-Dihydroxy-5''-isopropenyl-4'',5''-dihydrofurano[2'',3'':6,7]isoflavone; InChI=1/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s |
|
336.3 g/mol |
|
|
TCMBANKIN044447 |
Tussilagine |
tussilagine; 91108-33-7; 80151-77-5; C10411; (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid methyl ester; methyl (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate; (1S,2S,8S)-2-hydroxy-2-methyl-pyrrolizidine-1-carboxylic acid methyl ester |
C10H17NO3 |
199.25 |
CC1(CN2CCCC2C1C(=O)OC)O |
|
TCMBANKIN044515 |
Kuwanon S |
2-(3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one; 2-[3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl]-5,7-dihydroxy-1-benzopyran-4-one; AIDS095970; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromen-4-one; 100187-67-5; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromone; AIDS-095970; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4-chromenone |
C25H26O5 |
406.47 |
CC(=CCCC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
TCMBANKIN044563 |
Kuraridin |
MolPort-039-339-011; 2,2',4,4'-Tetrahydroxy-3'-(2-isopropenyl-5-methyl-4-hexenyl)-6'-methoxychalcone; kuraridin ; SCHEMBL11582264; LMPK12120282 |
|
438.513 |
|
|
TCMBANKIN044647 |
Salvianolic acid D |
salvianolicacid d |
|
418.351 |
|
|
TCMBANKIN044684 |
litcubine |
|
C19H22NO4+ |
328.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)O)OC |
|
TCMBANKIN044686 |
Isoglycyrol |
1H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-10-hydroxy-13-methoxy-3,3-dimethyl-; AIDS095930; AIDS-095930; LMPK12090045; 23013-86-7; isoglycyrol; 10-Hydroxy-13-methoxy-3,3-dimethyl-2,3-dihydro-1H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7-one |
C21H18O6 |
366.36 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
|
TCMBANKIN044725 |
3'-Methyl eriodictyol-7-O-beta-D-glucoside |
3'-methyl eriodictyol-7-o-beta-d-glucoside; AC1NSYDS; 3'-methyl eriodictyol-7-o-β-d-glucoside; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one; 4',5-Dihydroxy-3'-methoxy-7-(beta-D-glucopyranosyloxy)flavanone |
C22H24O11 |
464.4 g/mol |
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O |
|
TCMBANKIN044727 |
salicylic acid |
3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 |
C7H6O3 |
138.12 |
C1=CC=C(C(=C1)C(=O)O)[O-] |
|
TCMBANKIN044850 |
Pterosin S |
CHEMBL1864404; HMS2205M21; pterosin s; MLS002473105; 56227-00-0; SMR001397207 |
|
250.29 g/mol |
|
|
TCMBANKIN044853 |
Balanophonin |
|
|
356.4 g/mol |
|
|
TCMBANKIN044866 |
kadsurenone |
(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one; 6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2S-(2alpha,3beta,3aalpha))-; PDSP2_000721; C10638; 2beta-(3,4-Dimethoxyphenyl)-3alpha-methyl-3aalpha-methoxy-5-allyl-2,3,3a,6-tetrahydrobenzofuran-6-one; PDSP1_000731; 95851-37-9; (2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one; Kadsurenone |
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN044902 |
sinapaldehyde glucoside |
|
C17H22O9 |
370.35 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CC=O |
|
TCMBANKIN045063 |
sativanone |
(3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-chroman-4-one; (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-chromanone; (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxychroman-4-one; sativanone |
C17H16O5 |
300.306 |
c1(O[H])c([H])c(OC([H])([H])[C@]([H])(c2c(OC([H])([H])[H])c([H])c(OC([H])([H])[H])c([H])c2[H])C3=O)c3c([H])c1[H] |
|
TCMBANKIN045067 |
Abrectorin |
|
|
314.29 |
|
|
TCMBANKIN045104 |
chlorogenic |
chlorogenetic,acid; 5'-caffeoylquinic acid |
C16H18O9 |
354.309 |
c1(O[H])c([H])c(\C([H])=C([H])\C(=O)O[C@]2([H])C([H])([H])[C@@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c1O[H] |
|
TCMBANKIN045113 |
Alnusone |
InChI=1/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8; (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one; HEP-DIENE-ONE DER FR ALPINA KATSUMANDAI; alnusone; 1,7-di(phenyl)hepta-4,6-dien-3-one; NSC378841; 33457-62-4; NCI60_003566; DAH-3-keto-4,6-dien; (4E,6E)-1,7-di(phenyl)hepta-4,6-dien-3-one; (4E,6E)-1,7-diphenyl-hepta-4,6-dien-3-one; 4,6-Heptadien-3-one, 1,7-diphenyl- |
|
262.35 |
|
|
TCMBANKIN045208 |
gentiatibetine |
26005-36-7; 8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol; Gentiatibetine; Alkaloid GT-A; 8-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-ol; AC1NSVSO; Gentiotibetine |
C9H11NO2 |
165.19 |
CC1=NC=CC2=C1C(OCC2)O |
|
TCMBANKIN045251 |
kushenol D |
(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one; AC1NSXF1; kushenol d; Kushenol D; LMPK12120281; SCHEMBL564117 |
C27H32O6 |
452.5 g/mol |
CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=C(C=C(C=C2)O)OC)O)C(=C)C)C |
|
TCMBANKIN045301 |
Gomisin R |
gomisin r |
C22H24O7 |
400.4 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)O)OCO5)OC)OC)OCO3 |
|
TCMBANKIN045310 |
Daechualkaloid A |
2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one; daechualkaloid a; AC1NSU54; daechu alkaloid a |
C10H13NO2 |
179.22 g/mol |
C1CC2N(C1)C3=C(CCC3=O)CO2 |
|
TCMBANKIN045398 |
isoduartin |
|
C18H20O6 |
332.35 |
COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC |
|
TCMBANKIN045463 |
Flemiphilippinin C |
flemiphilippinin c |
C26H26O6 |
434.481 |
C1(C([H])([H])[H])(C([H])([H])[H])Oc(c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC([H])=C(c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])C3=O)c3c4O[H])c4C([H])=C1[H] |
|
TCMBANKIN045484 |
Acenaphthene |
Acenaphthylene, 1,2-dihydro-; 83-32-9; Ethylenenaphthalene; CHEBI:22154; NCGC00163966-01; CCRIS 5951; 215376_ALDRICH; 48643_SUPELCO; AI3-00128; 40001_SUPELCO; NSC7657; HSDB 2659; InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H; NSC 7657; A104_ALDRICH; Acenaphthene solution; Naphthyleneethylene; 1,2-Dihydroacenaphthylene; Acenaphthylene; AIDS017522; peri-Ethylenenaphthalene; 48500U_SUPELCO; 1,8-Ethylenenaphthalene; ST5186536; EINECS 201-469-6; AIDS-017522; 1,8-Dihydroacenaphthalene |
C12H10 |
154.21 |
C1CC2=CC=CC3=C2C1=CC=C3 |
|
TCMBANKIN045518 |
questin |
questin-2-olate; 1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione; 3774-64-9; 1,6-dihydroxy-8-methoxy-3-methyl-9,10-anthraquinone; emodin-8-methyl ether; 5-hydroxy-4-methoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate; 9,10-Anthracenedione, 1,6-dihydroxy-8-methoxy-3-methyl-; CHEBI:57676; 1,6-dihydroxy-3-methyl-8-(methyloxy)anthracene-9,10-dione; 3,8-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione; 1,6-dihydroxy-8-methoxy-3-methyl-anthracene-9,10-dione; CHEBI:16200; C01448; Questin |
C16H12O5 |
284.263 |
c1([H])c(O[H])c(C(=O)c(c(OC([H])([H])[H])c([H])c(O[H])c2[H])c2C3=O)c3c([H])c1C([H])([H])[H] |
|
TCMBANKIN045577 |
kurarinone |
Kurarinone, >=98% (HPLC); CHEBI:66150; MolPort-039-339-013; SCHEMBL563362; C17446; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one; J3.604.214A; (2S)-(-)-kurarinone; LMPK12140499; kurarinone ; Kurarinone; 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone; ZINC14711629; AKOS030530879; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one; AK555456; (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one |
C25H28O6 |
424.486 |
c1(O[H])c(C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[H])c(C(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c([H])c2O[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN045633 |
olivil |
(-)-Olivil |
C20H24O7 |
376.4 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN045638 |
beta-Sitosterol-3-O-beta-D-xylopyranoside |
AC1O3E0X; beta-sitosterol-3-o-beta-d-xylopyranoside; (2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol; β-sitosterol-3-o-β-d-xylopyranoside; beta-Sitosterol-3-O-beta-D-xylopyranoside_qt |
|
546.92 |
|
|
TCMBANKIN045722 |
isofraxinellone |
|
C14H20O3 |
236.307 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@@]2([H])C([H])([H])C([H])([H])OC2([H])[H])OC3=O)[C@]3([H])C(C([H])([H])[H])=C1[H] |
|
TCMBANKIN045777 |
emodin-8-beta-Dglucoside |
|
C21H20O11 |
448.377 |
c1(O[H])c([H])c(OOC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])=O)c(C(=O)c(c(O[H])c([H])c(C([H])([H])[H])c2[H])c2C3=O)c3c1[H] |
|
TCMBANKIN045786 |
leojaponin |
|
C20H26O3 |
314.4 g/mol |
CC1=C(C2(CCCC(C2=C(C1=O)O)(C)C)C)CCC3=COC=C3 |
|
TCMBANKIN045787 |
groenlandicine |
dehydrocheilanthifoline |
C19H16NO4 |
323 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])N(=C([H])c(c(OC([H])([H])O2)c2c([H])c3[H])c34)C5=C4[H])c5c([H])c1OC([H])([H])[H] |
|
TCMBANKIN045832 |
Phlegmariuine-N |
6-Quinolinol,5,7-dimethyl-; ACMC-20c87d; 126552-19-0; Phlegmariuine N; AC1Q79MH; DTXSID50155211; AC1L5034; 5,7-dimethyl-6-quinolinol; phlegmariuine-n; 5,7-dimethylquinolin-6-ol; CTK4B5234; AKOS030558830; AK590135; 6-Hydroxy-5,7-dimethylquinoline |
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN045871 |
denudanolide c |
|
C21H24O6 |
372.4 g/mol |
CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN045922 |
indole |
Benzopyrrole; Indol; W259306_ALDRICH; ZINC00895236; INDOLE BENZO-PYRROLE; 783272-65-1; 1H-Indole (9CI); 1H-Indole-1-cation; Benzo[b]pyrrole; 2,3-Benzopyrrole; 2,3-Benzopyrole; NSC 1964; CHEBI:16881; Indole (natural); 1H-Benzo[b]pyrrole; CCRIS 4421; InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9; KB-274206; 1H-indol-1-ium; 1H-Indol-1-iumyl; 269077_ALDRICH; NSC1964; 1-Azaindene; SB 00587; 442619_SUPELCO; Ketole; SIKJAQJRHWYJAI-UHFFFAOYSA-O; AC1NC5DJ; INDOLE; AI3-01540; Indol [German]; 57190_FLUKA; 1-Benzo(b)pyrrole; LS-2832; WLN: T56 BMJ; IND; Caswell No. 498B; EINECS 204-420-7; 1-Benzazole; 1H-Indole; EPA Pesticide Chemical Code 025000; FEMA No. 2593; HSDB 599; 120-72-9; Indole (8CI); C00463; I3408_ALDRICH; indolium |
C8H7N |
117.148 |
n1([H])c(c([H])c([H])c([H])c2[H])c2c([H])c1[H] |
|
TCMBANKIN045990 |
Lupiwighteone |
lupiwighteone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-prenyl-5,7,4'-trihydroxyisoflavone; 5,7,4'-Trihydroxy-8-(3,3-dimethylallyl)isoflavone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; MEGxp0_000421; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
C20H18O5 |
338.35 |
CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)[O-])C |
|
TCMBANKIN046015 |
saringosterol |
Saringosterol; 24-vinyl-cholest-5-ene-3beta,24-diol; LMST01040167; CHEMBL252366 |
C29H48O2 |
429 |
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@](O[H])(C([
H])=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]34[H])C([H])([H])[C@@]1([H])O[H] |
|
TCMBANKIN046094 |
Oxyterihanine |
|
|
349.36 |
|
|
TCMBANKIN046148 |
glabrene |
8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol; 8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-chromen-5-ol; 2',2'-Dimethyl-2H,2'H-(3,8')bi(1-benzopyranyl)-7,5'-diol; glabrene; 8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-5-chromenol; 2',2'-Dimethyl-2H,2'H-[3,8']bi[1-benzopyranyl]-7,5'-diol; AIDS095911; AIDS-095911; 60008-03-9 |
C20H20O4 |
324.37 |
c1(O[H])c([H])c(OC([H])([H])C(c2c([H])c([H])c(OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])[H])c3c2O[H])=C4[H])c4c([H])c1[H] |
|
TCMBANKIN046193 |
guvacoline |
AKOS006326662; BDBM50024984; 3-(Methoxycarbonyl)-1,2,5,6-tetrahydropyridine; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester; AC1Q5YLM; methyl 1,2,5,6-tetrahydropyridine-3-carboxylate; AK327408; DTXSID20197805; Guvacoline; Methyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate; UNII-YT3OF85P98; AC1L4NPV; Nicotinic acid, 1,2,5,6-tetrahydro-, methyl ester; 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-, methyl ester; FT-0626846; Methyl 1,2,5,6-tetrahydronicotinate; ZINC3638105; C16821; 495-19-2; Norarecoline; CHEBI:80754; YT3OF85P98; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester(norarecoline); Guvacine methyl ester; SCHEMBL3019132; 1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester; methyl 1,2,3,6-tetrahydropyridine-5-carboxylate; DYPLDWLIOGXSSE-UHFFFAOYSA-N; CHEMBL268808; FT-0626845; CTK4J1347; AJ-45185; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester |
C7H11NO2 |
141.17 |
COC(=O)C1=CCCNC1 |
|
TCMBANKIN046200 |
amphibine D |
amphibine d |
C36H49N5O5 |
631.8 |
CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(CC4=CC=CC=C4)N(C)C |
|
TCMBANKIN046204 |
7-O-Methyleriodictyol |
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one; 7-Methoxy-5,3',4'-trihydroxyflavanone; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromanone; 51857-11-5; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-; ZINC01081535; 7-o-methyleriodictyol |
C16H14O6 |
302.28 |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN046229 |
deltoin |
AC1NSUCJ; 2-[2-[(Z)-2-methyl-3-oxobut-1-enoxy]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; deltoin |
C19H20O5 |
328.359 |
c12c(O[C@]([H])(C(C([H])([H])[H])(OC(\C(=C([H])\C([H])([H])[H])\C([H])([H])[H])=O)C([H])([H])[H])C1([H])[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2[H] |
|
TCMBANKIN046268 |
Trans-piperitol |
C03039; trans-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; 75363-65-4; trans-piperitol; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-; (1R,6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; (1R,6R)-6-isopropyl-3-methyl-1-cyclohex-2-enol; 16721-39-4; EINECS 240-777-5; (1R,6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol; (+)-trans-Piperitenol |
C10H18O |
154.249 |
C([H])([H])([H])C1=C([H])[C@]([H])(O[H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN046352 |
methyl chlorogenate |
Neochlorogenic acid methyl ester; methyl (1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylate; methylchlorogenate; (1R)-1alpha,3alpha,4alpha-Trihydroxy-5beta-(3,4-dihydroxycinnamoyloxy)cyclohexanecarboxylic acid methyl ester |
C17H20O9 |
368.335 |
c1(O[H])c([H])c(\C([H])=C([H])\C(=O)O[C@]2([H])C([H])([H])[C@@](C(OC([H])([H])[H])=O)(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c1O[H] |
|
TCMBANKIN046356 |
Inflacoumarin A |
7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2-chromenone; inflacoumarin a; 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)coumarin; 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-2-one |
|
322.35 |
|
|
TCMBANKIN046393 |
Astin E |
astin e |
|
550 |
|
|
TCMBANKIN046408 |
isoorientin |
isoorientin 7-olate; isoorientin(1-); Isoorientin; AIDS-026707; 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; C01821; NCGC00163566-01; (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 4261-42-1; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; AIDS026707; CHEBI:58333; CHEBI:17965; (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol; 6C-hexosyl luteolin; Homoorientin; isoorientin anion; isoorientin ; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; Luteolin 6-C-glucoside |
C21H20O11 |
448.377 |
c12c(OC(c3c([H])c([H])c(O[H])c(O[H])c3[H])=C([H])C1=O)c([H])c(O[H])c([C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)c2O[H] |
|
TCMBANKIN046419 |
7-Methoxy-2-methyl isoflavone |
7-methoxy-2-methyl-3-phenylchromen-4-one; MLS001048849; Oprea1_185553; 7-methoxy-2-methyl-3-phenyl-chromone; ZINC00520945; 7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one; MLS000556973; AIDS-130588; 7-methoxy-2-methyl isoflavone; 7-Methoxy-2-methyl-3-phenyl-chromen-4-one; SMR000148090; ST5071001; Oprea1_144261; AIDS130588; 7-methoxy-2-methyl-3-phenyl-4-chromenone; NSC605906 |
|
266.29 |
|
|
TCMBANKIN046429 |
forsythialan B |
|
C21H24O7 |
388.411 |
[C@]1(C([H])([H])O[H])([H])[C@](C(c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])=O)([H])C([H])([H])O[C@]1([H])c3c([H])c(OC([H])([H])[H])c([H])c(O[H])c3[H] |
|
TCMBANKIN046480 |
Blestrin B |
blestrin b |
|
482.5 g/mol |
|
|
TCMBANKIN046511 |
castilliferol |
|
C24H16O8 |
432.4 g/mol |
C1=CC(=CC=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O |
|
TCMBANKIN046589 |
Juglanin |
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; juglanin |
C20H18O10 |
418.35 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O |
|
TCMBANKIN046658 |
glycitein |
C14536; 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; ST5331727; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; 40957-83-3; 7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one |
C16H12O5 |
284.263 |
C([H])([H])([H])Oc1c([H])c(C(C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)=O)c3c([H])c1O[H] |
|
TCMBANKIN046679 |
tri-O-methylnorbergenin |
|
C16H20O9 |
356.32 g/mol |
COC1=C(C(=C2C3C(C(C(C(O3)CO)O)O)OC(=O)C2=C1)OC)OC |
|
TCMBANKIN046734 |
2,3-didehydro GA9 |
|
|
314.41 |
|
|
TCMBANKIN046801 |
ethyl rosmarinate |
ethylrosmarinate |
C19H18O8 |
374.34 |
CCOC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
|
TCMBANKIN046821 |
7,30-dihydroxy-5,40,50-trimethoxyisoflavone |
|
|
346.36 |
|
|
TCMBANKIN046852 |
OBOVATOL |
5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol; NSC364150; 83864-78-2; 5-allyl-3-(4-allylphenoxy)pyrocatechol; obovatol; 1,2-Benzenediol, 5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-; NSC 364150; 5-allyl-3-(4-allylphenoxy)benzene-1,2-diol; 4',5-Diallyl-2,3-dihydroxybiphenyl ether |
C18H18O3 |
282.33 |
C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)CC=C |
|
TCMBANKIN046880 |
Senkyunolide J |
senkyunolide j; senkyunolide-J |
|
226.269 |
|
|
TCMBANKIN046884 |
(E)-2-Hexenyl-gamma-L-arabinopyranosyl-(1-2)-beta-D-glucopyranoside |
(e)-2-hexenyl-gamma-l-arabinopyranosyl-(1-2)-beta-d-glucopyranoside |
C17H30O10 |
380.388 |
C(/C([H])([H])O[C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])O1)([H])=C([H])\C([H])([H])C([H])
([H])C([H])([H])[H] |
|
TCMBANKIN047007 |
Piperenol B |
piperenol b |
|
384.38 |
|
|
TCMBANKIN047210 |
salvianolic acid c |
AC1NT063; 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid; salvianolicacid c |
C26H20O10 |
492.43 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O |
|
TCMBANKIN047216 |
dihydrokaranone |
(?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 |
C15H22O |
218.335 |
C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
|
TCMBANKIN047226 |
orotinin |
|
C25H26O6 |
422.5 g/mol |
CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=CC=C4O)O)O)C=CC(O2)(C)C)C |
|
TCMBANKIN047231 |
Semilicoisoflavone B |
5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one; 5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-[3,6']bi[1-benzopyranyl]-4-one; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one; AIDS095919; AIDS-095919; 129280-33-7; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; semilicoisoflavone b; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone |
|
352.34 |
|
|
TCMBANKIN047243 |
glyasperin F |
glyasperin f |
C20H18O6 |
354.4 g/mol |
CC1(C=CC2=C(C=CC(=C2O1)C3COC4=CC(=CC(=C4C3=O)O)O)O)C |
|
TCMBANKIN047264 |
Thalidastine |
|
|
338.36 |
|
|
TCMBANKIN047287 |
Cyclocurcumin |
|
C21H22O6 |
370.396 |
c1(OC([H])([H])[H])c([H])c([H])c(C([H])([H])C([H])([H])C2=C([H])C(=O)C([H])([H])[C@@]([H])(c3c([H])c([H])c(OC([H])([H])[H])c(O[H])c3[H])O2)c([H])c1O[H] |
|
TCMBANKIN047320 |
1-Hydroxy-2,3,4,7-tetramethoxyxanthone |
1-hydroxy-2,3,4,7-tetramethoxyxanthone; 1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one; Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-; 14103-09-4; 1-hydroxy-2,3,4,7-tetramethoxy-9-xanthenone; 1-hydroxy-2,3,4,7-tetramethoxy-xanthone; 1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one; 9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-; 1-hydroxy-2,3,4,7-tetramethoxy-xanthen-9-one; Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy- |
|
332.3 |
|
|
TCMBANKIN047514 |
beta-acetoxyisovalerylshikonin |
|
C23H26O8 |
430.448 |
c1([H])c(O[H])c(C(=O)C([H])=C([C@]([H])(OC(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])OC(=O)C([H])([H])[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C2=O)c2c(O[H])c1[H] |
|
TCMBANKIN047621 |
casuariin |
BDBM50269546; D0I1UF; CHEMBL509562; SCHEMBL1883046; casuariin ; Casuariin |
C35H26O21 |
783 |
c1(O[H])c(c([H])c2c(c3c(C(=O)O[C@]([H])([C@]([H])(C([H])([H])OC2=O)O[H])[C@]4([H])C([H])([H])C(=O)c5c(c6c(C(=O)O[C@@]47[H])c(c(O[H])c(O[H])c6O[H])[C@]7(O[H])[H])c(O[H])c(O[H])c(O[H])c5[H])c([H])c(O[H]
)c(O[H])c3O[H])c1O[H])O[H] |
|
TCMBANKIN047636 |
tanshinol A |
6-(hydroxymethyl)-1-methyl-naphtho[1,2-g][1]benzoxole-10,11-dione; 6-(HYDROXYMETHYL)-14-METHYL-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),3,5,8,11(15),13-HEPTAENE-16,17-DIONE; 1-methyl-6-methylol-naphtho[1,2-g]benzofuran-10,11-quinone; 189290-28-6; tanshinol a; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione; AC1NT0PB; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g]benzofuran-10,11-dione; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzoxole-10,11-dione; 6-(hydroxymethyl)-1-methyl-naphtho[1,2-g]benzofuran-10,11-dione |
C18H12O4 |
292.285 |
c1([H])c([H])c(c(C(=O)C(=O)c(c(C([H])([H])[H])c([H])o2)c23)c3c([H])c4[H])c4c(C([H])([H])O[H])c1[H] |
|
TCMBANKIN047655 |
2-undecenoic acid |
(2E)-undec-2-enoic acid; trans-2-Undecenoic acid; LMFA01030034; 4189-02-0; 15790-94-0; undec-2-enoic acid; (E)-undec-2-enoic acid; 2-hendecenoic acid; trans-undec-2-enoic acid; CHEBI:39449; CHEBI:39450; (2E)-2-Undecenoic acid |
C11H20O2 |
184.28 |
CCCCCCCCC=CC(=O)O |
|
TCMBANKIN047682 |
Gancaonin G |
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-4-chromenone; AIDS095920; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one; 126716-34-5; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromone; gancaonin g; AIDS-095920; 5-Hydroxy-3-(4-hydroxy-phenyl)-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one |
C21H20O5 |
352.38 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C |
|
TCMBANKIN047736 |
(3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone |
(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-tr ihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3R)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromanone |
C16H14O6 |
302.28 g/mol |
COC1=CC(=C(C=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O |
|
TCMBANKIN047778 |
prolithospermic acid |
|
C18H14O8 |
358.299 |
c1(O[H])c([H])c([H])c([C@]2([H])[C@@]([H])(C(O[H])=O)c3c(c(O[H])c([H])c([H])c3\C([H])=C([H])\C(=O)O[H])O2)c([H])c1O[H] |
|
TCMBANKIN047793 |
dictamnol |
|
C12H22O |
182.302 |
C1([H])([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[C@]2([H])[C@](O[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN047824 |
Homovanillyl alcohol |
4-Hydroxy-3-methoxyphenethanol; homovanillyl alcohol; EINECS 219-175-1; 3-METHOXY-4-HYDROXYPHENYLETHANOL; 4-Hydroxy-3-methoxyphenethyl alcohol; Benzeneethanol, 4-hydroxy-3-methoxy-; 148830_ALDRICH; ZINC00388293; 4-(2-hydroxyethyl)-2-methoxyphenol; 4-(2-hydroxyethyl)-2-methoxy-phenol; 4-Hydroxy-3-methoxyphenylethyl alcohol; 4-(2-Hydroxyethyl)guaiacol; 2380-78-1; ST5406563 |
C9H12O3 |
168.19 |
COC1=C(C=CC(=C1)CCO)O |
|
TCMBANKIN047857 |
Glyasperin B |
glyasperin b |
|
370.4 |
|
|
TCMBANKIN047920 |
Kuwanon B |
kuwanon b |
|
420.45 |
|
|
TCMBANKIN048128 |
homalomenol |
|
C15H26O2 |
238.366 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]2([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN048196 |
Hancinone C |
hancinone c |
|
400.46 |
|
|
TCMBANKIN048208 |
violanone |
|
C17H16O6 |
316.3 g/mol |
COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)O |
|
TCMBANKIN048218 |
fraxetin |
ZINC00113309; NCGC00096046-01; AIDS224554; SCHEMBL43472; ST24045548; KBio3_002724; BSPBio_003224; SMR000112323; V1540; Coumarin, 7,8-dihydroxy-6-methoxy; AJ-11417; UNII-CD3GD44O3K; CD3GD44O3K; C09265; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one; Spectrum_001507; STOCK1N-06249; 7,8-dihydroxy-6-methoxy-2-chromenone; CTK8E5461; MCULE-2693568829; AC1NRV6E; InChI=1/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H; 7,8-Dihydroxy-6-methoxy-chromen-2-one; MFCD00006873; AKOS000277991; Spectrum4_001686; CHEBI:5169; 7,8-Dihydroxy-6-methoxy-2-benzopyrone; 574-84-5; N1765; KSC-11-207-12; 7,8-dihydroxy-6-methoxychromen-2-one; Fraxetin; 7,8-Dihydroxy-6-methoxycoumarin, 98%; CC-23048; SR-05000002449-1; NCGC00169075-01; BG01517128; 254916_ALDRICH; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one #; ZINC113309; I14-19210; SR-05000002449; ZB003792; ACon0_001071; AX8110148; Q-100662; EINECS 209-376-2; Spectrum3_001842; MLS002207123; AK114503; KBio2_007123; NCGC00096046-02; KBio2_004555; SpecPlus_000477; 7,8-dihydroxy-6-methoxy-chromen-2-one; ST024715; KBio2_001987; KBio1_001517; CCG-38759; NCGC00017270-03; Spectrum2_001639; 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-; ACon1_000442; SC-65962; AN-46013; BG00604311; Spectrum5_000332; Oprea1_735469; KBioSS_001987; MolPort-001-683-945; KBioGR_001952; 574F845; 7,8-dihydroxy-6-methoxy-coumarin; NCGC00169075-02; KUC106681N; SPECTRUM1504069; SPBio_001737; DB-050316; TR-020064; AC1Q4F2E; DTXSID00205992; NCGC00017270-05; CHEMBL54909; BDBM50206215; C-30832; DivK1c_006573; AIDS-224554; Fraxetin, analytical standard; FT-0632418; 4CN-1003; NCGC00017270-02; BRD-K76587808-001-03-8; MEGxp0_000506; NCGC00017270-01; TNP00177; HAVWRBANWNTOJX-UHFFFAOYSA-N; 7,8-Dihydroxy-6-methoxycoumarin; NCGC00017270-04; Coumarin, 7,8-dihydroxy-6-methoxy-; KB-249406 |
C10H8O5 |
208.168 |
c1(OC([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c(O[H])c1O[H] |
|
TCMBANKIN048221 |
Kadsutherin |
|
|
468.54 |
|
|
TCMBANKIN048253 |
yangambin |
yangambin; C10894; ZINC04098936; (1S,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; 13060-14-5 |
C24H30O8 |
446 |
O1[C@]([H])(c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2[H])[C@@]([H])(C([H])([H])O[C@]3([H])c4c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c4[H])[C@]3([H])C1([H])[H
] |
|
TCMBANKIN048277 |
wallichinine |
|
C22H26O5 |
370.439 |
C1(=O)C([H])=C(OC([H])([H])[H])[C@@](\C(\C([H])([H])[H])=C([H])\c2c([H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2[H])(OC([H])([H])[H])C([H])=C1C([H])([H])C([H])=C([H])[H] |
|
TCMBANKIN048293 |
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one |
1,7-bis(4-Hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; (1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; (1E,4E,6E)-1,7-bis-(4-Hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; SCHEMBL3294805; CHEMBL482607; 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; 1,7-Bis(3-methoxy-4-hydroxyphenyl)-1,4,6-heptatriene-3-one |
C21H20O5 |
352.4 g/mol |
COC1=C(C=CC(=C1)C=CC=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN048549 |
Zedoarondiol |
|
|
252.35 |
|
|
TCMBANKIN048708 |
sokurarinone |
LMPK12140464 |
C26H30O6 |
438.5 g/mol |
CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)OC)O)C(=C)C)C |
|
TCMBANKIN048729 |
Gancaonin B |
gancaonin b; DTXSID60154437; 5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone; 124596-86-7; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromone; AIDS-095921; SCHEMBL1170939; LMPK12050262; AIDS095921; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromen-4-one; AK583693; 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; 3',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone; CTK4B4004; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one; AKOS030553634; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; ACMC-20mr47; AC1NSVNP |
C21H20O6 |
368.38 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)OC)O)O)C |
|
TCMBANKIN048737 |
Sanggenol N |
|
C25H26O6 |
422.47 |
c1(O[H])c([H])c(O[C@]([H])(c2c([H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(C([H])([H])[H])(C([H])([H])[H])C([H])=C3[H])c3c2O[H])C([H])([H])C4=O)c4c(O[H])c1[H] |
|
TCMBANKIN048791 |
licochalcone A |
AIDS-060352; D08GEN; LMPK12120424; 749L227; AN-276; (E)-3-[5-(1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone; (2E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; Licochalcone-A, Synthetic; LICOAGROCHACONE A; SCHEMBL114042; HY-N0372; licochalcone a; CS-5603; 4 inverted exclamation marka,4-Dihydroxy-3-; EX-A1193; BRD-K99667445-001-01-4; 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)- (E)-; Licohalconel A; AIDS060352; 3-[5-((E)-1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone; (E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (2E)-3-[5-(1,1-dimethylprop-2-en-1-yl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; NP-012615; Q-100677; AK198741; 3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; C21H22O4; 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone; s7828; KAZSKMJFUPEHHW-DHZHZOJOSA-N; (E)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; BDBM50068270; LS-122598; HSCI1_000078; MolPort-005-945-554; JTV5467968; ZINC3873123; Licochalcone-A; MolPort-044-567-637; (E)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; V2343; Licochalcone A; 58749-22-7; CCG-208030; Licochalcone A, >=96.0% (HPLC); AB0021119; EBD46703; CHEMBL139702; CHEBI:125689; UNII-JTV5467968; AC1NSXJH; AKOS026673964; A-dimethylallyl-6-methoxychalcone; 2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-; (E)-3-[5-(1,1-Dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one; BG01626652 |
C21H22O4 |
338.397 |
c1(O[H])c([H])c([H])c(C(=O)\C([H])=C([H])/c2c([H])c(C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])c(O[H])c([H])c2OC([H])([H])[H])c([H])c1[H] |
|
TCMBANKIN048813 |
cnidiadin |
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 2-methylpropanoate; AC1NSTQ7 |
C18H18O5 |
314.333 |
C(OC(c(c([H])c(c(OC1=O)c2C([H])=C1[H])c3c([H])c2[H])o3)(C([H])([H])[H])C([H])([H])[H])(=O)C([H])(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN048833 |
2'-O-methylisoliquiritigenin |
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; C15531; 2'-o-methyl isoliquiritigenin; 2'-O-Methyl isoliquiritigenin; (E)-1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
C16H14O4 |
270.28 |
c1(O[H])c([H])c([H])c(C(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c([H])c2[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN048919 |
artemisia alcohol |
77363-66-7; (4R)-3,3,6-Trimethyl-1,5-heptadien-4-ol; (4R)-3,3,6-TRIMETHYLHEPTA-1,5-DIEN-4-OL; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, (R)-; CTK2G0253 |
C10H18O |
154.249 |
[C@]([H])(C(C([H])([H])[H])(C([H])=C([H])[H])C([H])([H])[H])(O[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN049011 |
1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one |
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one; 4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde |
|
164.22 |
|
|
TCMBANKIN049128 |
sanjoinine F |
sanjoinine f |
C31H42N4O5 |
550.69 |
CC(C)C1C(C(=O)NC(C(=O)NC=CC2=CC=C(O1)C=C2)C(C(C)C)O)NC(=O)C(CC3=CC=CC=C3)N(C)C |
|
TCMBANKIN049269 |
przewaquinone A |
przewaquinone a; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 6,6-dimethyl-1-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; Phenanthrol[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1-(hydroxymethyl)-6,6-dimethyl- |
C19H18O4 |
310.344 |
C1([H])([H])C([H])([H])c(c(C(=O)C(=O)c(c(C([H])([H])O[H])c([H])o2)c23)c3c([H])c4[H])c4C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN049299 |
lithospermic acid |
54814-35-6; ZINC4097774; SCHEMBL13284084; lithospermicacid; (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxoethoxy]-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid; AK199160; 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-; (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid; (2S,3S)-4-[(E)-3-[(1R)-1-(3,4-dihydroxybenzyl)-2-hydroxy-2-keto-ethoxy]-3-keto-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid; MolPort-020-005-934; 28831-65-4; D06ALC; 100IP83JAC; (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxo-propan-2-yl]oxy-3-oxo-prop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid; Lithospermic-acid; 11075-67-5; AIDS071478; Lithospermic acid; CHEMBL518243; 3-Benzofurancarboxylicacid,4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-,(2S,3S)-; AIDS-071478; 4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid; UNII-100IP83JAC; AC1O5VFB; BDBM50250808; AKOS026674259; 4-{(E)-2-[1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl}-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid; (2S,3S)-4-[(1E)-3-[(1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY]-3-OXOPROP-1-EN-1-YL]-2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-2,3-DIHYDRO-1-BENZOFURAN-3-CARBOXYLIC ACID |
C27H22O12 |
538.46 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
|
TCMBANKIN049366 |
cyclomulberrin |
LMPK12110932; 3,8,10-Trihydroxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one, 9CI; Cyclomulberrin; 3,8,10-trihydroxy-11-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-chromeno[4,3-b]chromen-7-one; MolPort-039-338-701; CHEBI:132869; 19275-51-5 |
C25H24O6 |
420.45 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)C |
|
TCMBANKIN049390 |
3-methoxytyramine-betaxanthin |
|
C18H21N2O6 |
362 |
C([H])([H])(C([H])([H])c1c([H])c([H])c(O[H])c(OC([H])([H])[H])c1[H])N([H])=C([H])\C([H])=C(/C2([H])[H])\C([H])=C(C(O[H])=O)N([H])[C@]2([H])C(O[H])=O |
|
TCMBANKIN049426 |
vitrofolal C |
vitrofolal c |
C21H18O6 |
366.4 g/mol |
COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC |
|
TCMBANKIN049505 |
Stepharanine |
|
|
324.3 g/mol |
|
|
TCMBANKIN049525 |
androsin |
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)-; 1-[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; MEGxp0_001242; 531-28-2; ACon1_001064; androsin; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone |
C15H20O8 |
328.314 |
c1(OC([H])([H])[H])c(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c(C(=O)C([H])([H])[H])c1[H] |
|
TCMBANKIN049554 |
liliflone |
|
C21H26O6 |
374.43 |
|
|
TCMBANKIN049562 |
7-O-methylaloeresin A |
7-o-methylaloeresin a |
C29H30O11 |
554.5 g/mol |
CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)OC |
|
TCMBANKIN049640 |
trans-4-Hydroxycyclohexane-1-carboxylic acid |
trans-4-hydroxycyclohexane-1-carboxylicacid |
|
144.17 |
|
|
TCMBANKIN049669 |
sesamolin |
5-[4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole; 1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-; 1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-; ZZMNWJVJUKMZJY-UHFFFAOYSA-N; 5-[4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole; 2-(3,4-Methylenedioxyphenoxy)-6-(3,4-methylenedioxyphenyl)-cis-3,7-dioxabicyclo[3.3.0]octane; tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1h,3h-furo[3,4-c]furan; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-; 1H,3H-Furo[3,4-c]furan, tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-, (1R,3aR,4S,6aR)-; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, (1S,3aR,4R,6aR)-; AI3-20978; 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; CTK5J7838; 526-07-8; 1H,3H-Furo[3,4-c]furan, 1,3-benzodioxole deriv.; 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole; (+)-sesamolin; SCHEMBL163697; AC1LBNZK; 5-[[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole |
C20H18O7 |
370.35 |
C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
|
TCMBANKIN049727 |
Aristolone |
UGVIZCBJCSXBCJ-RQIDDHSMSA-N; Aristol-9-en-8-one #; 6831-17-0; 2H-Cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a.beta.,4,5,6,7,7a,7b.beta.-octahydro-1,1,7.beta.,7a.beta.-tetramethyl-; aristolone; AC1O5EP0; (7R,7aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one |
C15H22O |
218.33 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN049783 |
Artemisia triene |
artemisia triene; (3E)-2,5,5-trimethylhepta-1,3,6-triene; 1,3,6-Heptatriene, 2,5,5-trimethyl-; Artemesia triene |
|
136.23 |
|
|
TCMBANKIN049825 |
tetrahydrofuroguaiacin B |
|
C20H24O5 |
344.4 g/mol |
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
|
TCMBANKIN049834 |
hexandraside D |
|
C39H50O19 |
822.8 |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O |
|
TCMBANKIN049864 |
denudaquinol |
|
C19H26O4 |
318.407 |
c1(O[H])c([H])c(C([H])([H])C(OC([H])([H])[H])=O)c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c1[H] |
|
TCMBANKIN049952 |
procurcumadiol |
|
C15H22O3 |
250.33 |
CC1=CC(=O)C(=C(C)C)CC2(C1CCC2(C)O)O |
|
TCMBANKIN049993 |
3-beta-Hydroxymethyllenetanshiquinone |
(7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; (7S)-7-hydroxy-1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; 3-beta-hydroxymethyllenetanshiquinone |
C18H14O4 |
294.301 |
c12c(C(=C([H])[H])[C@@]([H])(O[H])C([H])([H])C1([H])[H])c([H])c([H])c3c2C(=O)C(=O)c(c(C([H])([H])[H])c([H])o4)c34 |
|
TCMBANKIN050067 |
furanogermacra-1E,10(15)-dien-6-one |
(1E)- 8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C15H18O2 |
230.302 |
C([H])(=C([H])/C(=C([H])[H])C([H])([H])c(oc([H])c1C([H])([H])[H])c1C(=O)C([H])([H])[C@@]2([H])C([H])([H])[H])/C2([H])[H] |
|
TCMBANKIN050117 |
magnolone |
|
C21H22O7 |
386.4 g/mol |
COC1=C(C=C(C=C1)C(=O)C2COC(C2CO)C3=CC4=C(C=C3)OCO4)OC |
|
TCMBANKIN050145 |
sanjoinine B |
sanjoinine b |
C30H40N4O4 |
520.66 |
CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)NC)C(C)C |
|
TCMBANKIN050166 |
β-Fenchene |
beta-fenchene; beta-Fenchene |
|
136.26 |
|
|
TCMBANKIN050188 |
kurarinol |
Kurarinol; ZINC13817026; 855746-98-4; CHEMBL455667; C17444; D0W4ZU; kurarinol ; BDBM50366788; MolPort-039-338-650; CHEBI:81093; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one |
C26H32O7 |
456.53 |
CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O |
|
TCMBANKIN050237 |
licopyranocoumarin |
AC1L3VDZ; GU 7; 3-(3,4-Dihydroxyphenyl)-8-hydroxymethyl-8-methyl-5-methoxy-6,7-dihydro-2H,8H-benzo(1,2-b-5,4-b')dipyran-2-one; 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-; 121249-16-9; 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-, (+)-; CHEMBL597425; 4X8VZO798F; 7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one; UNII-4X8VZO798F; GU-7; SCHEMBL2221932; LMPK12160021; Licopyranocoumarin; 117038-80-9 |
C21H20O7 |
384.38 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO |
|
TCMBANKIN050298 |
Epimedoside C |
epimedoside c |
|
516.5 g/mol |
|
|
TCMBANKIN050312 |
jaceosidin |
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone; jaceosidin ; 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one; 4',5,7-trihydroxy-3',6-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone; 18085-97-7; Jaceosidin; 5, 7,4'-trihydroxy-6,3'-dimethoxyflavone |
C17H14O7 |
330.289 |
C1(c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])=C([H])C(=O)c3c(O1)c([H])c(O[H])c(OC([H])([H])[H])c3O[H] |
|
TCMBANKIN050431 |
Eupaformosanin |
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester; 64439-43-6; C09432; (E)-4-hydroxy-2-methylol-but-2-enoic acid [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester; [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; eupaformosanin; [(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate |
C22H28O8 |
420.45 |
CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C |
|
TCMBANKIN050435 |
melianoninol |
|
C20H20O6 |
356.37 |
COC1=CC2=C(C=C1)OC(C2CO)C3=C(C=C(C(=C3)O)C=CC=O)OC |
|
TCMBANKIN054848 |
Valerianae alkaloid B |
phenyl pyruvicacid;PPY;CHEBI:30851; PHENYL-PYRUVATE; phenylpyruvate; 156-06-9; keto-phenylpyruvate; alpha-oxo-benzenepropanoic acid; SBB012361; AIDS167235; 2-Oxo-3-phenylpropanic acid; Benzenepropanoic acid, .alpha.-oxo-; Benzenepropanoic acid, alpha-oxo-; beta-phenylpyruvic acid; 3-Phenylpyruvic acid; 2-keto-3-phenyl-propionic acid; 286958_ALDRICH; 1PY; Phenyl pyruvic acid; C00166; alpha-ketohydrocinnamic acid; Pyruvic acid, phenyl-; keto-phenylpyruvic acid; 3-phenyl-2-oxopropanoate; 2-oxo-3-phenylpropanoic acid; 2-oxo-3-phenyl-propanoic acid; EINECS 205-847-1; Phenylbrenztraubensaeure; AIDS-167235; phenylpyruvic acid; 2-OXO-3-PHENYLPROPIONIC ACID; 3-phenyl-2-oxopropanoic acid |
C18H23ClNO2 |
|
C1([H])=N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])C([H])=C(C([H])([H])O[H])C3=C1[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H].Cl |
|
TCMBANKIN055740 |
3',4'-Dihydroxyacetophenone |
C16225; 35878-41-2; (3R)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (3R)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; 7,2'-dihydroxy-4'-methoxyisoflavan; C16225; (3S)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; 4CN-2332; C10540; 9JHS2AVR43; vestitol; 35878-41-2; (R)-(-)-Vestitol; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol; ZB015172; ZINC899922; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol; CTK1C3580; (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (?)-Vestitol; CHEBI:80392; (-)-Vestitol; AC1L4ALZ; UNII-Z244UVZ669 component XRVFNNUXNVWYTI-NSHDSACASA-N; CHEMBL479145; Vestitol, (-)-; UNII-9JHS2AVR43; MolPort-039-338-174; 20879-05-4; (3S)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; Vestitol |
C8H8O3 |
152.147 |
c1([H])c(C(=O)C([H])([H])[H])c([H])c(O[H])c(O[H])c1[H] |
|
TCMBANKIN057905 |
ferrum |
iron |
Fe |
55.84 g/mol |
[Fe] |
|
TCMBANKIN057906 |
mercury |
hydrargyrum |
Hg |
200.59 g/mol |
[Hg] |
|
TCMBANKIN057915 |
FUM |
U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid |
C4H4O4 |
116.07 |
C(=CC(=O)O)C(=O)O |
|
TCMBANKIN057916 |
MCT |
NSC 17489; M34200_ALDRICH; p-Methylcatechol; BRN 0636512; Homocatechol; Homopyrocatechol; AIDS002963; AIDS-002963; 4-Methylpyrocatechol; 3,4-Dihydroxytoluene; Pyrocatechol, 4-methyl-; 4-Methyl-1,2-benzenediol; 452-86-8; NSC17489; Toluene-3,4-diol; 4-Methylcatechol; 4-Methyl-1,2-dihydroxybenzene; ZINC00002500; InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H; CHEBI:17254; 53480_FLUKA; EINECS 207-214-5; 1,2-Benzenediol, 4-methyl- (9CI); C06730; SMR000471857; p-Methylpyrocatechol; 1,2-Benzenediol, 4-methyl-; c0126; 1,2-Dihydroxy-4-methylbenzene; CCRIS 3333; 4-methylbenzene-1,2-diol; MLS001066329 |
C7H8O2 |
124.14 |
C(=O)([O-])[O-].[Ca+2] |
|
TCMBANKIN057917 |
OXL |
ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid |
C2H2O4 |
90.03 g/mol |
C(=O)(C(=O)O)O |
|
TCMBANKIN057919 |
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside |
formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA |
HCOOH or CH2O2 |
46.025 g/mol;46.03 |
C(=O)O |
|
TCMBANKIN057921 |
2-Propanone, 1, 3-dihydroxy- |
2HA; 1,3-Dihydroxypropan-2-one; CHEBI:16016; glycerone; Oxantin; NSC24343; Chromelin; Soleal; DIHYDROXY ACETONE; DIHYDROXYACETONE; 96-26-4; 1,3-Dihydroxypropanone; AI3-24477; 2-Propanone, 1,3-dihydroxy-; CCRIS 4899; Triulose; dihydroxy-acetone; Viticolor; Oxatone; 1,3-Dihydroxydimethyl ketone; 62147-49-3; 2-Propanone, 1,3-dihydroxy; NSC-24343; InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H; ZINC00895101; C00184; 1,3-Dihydroxy-2-propanone; 4-01-00-04119 (Beilstein Handbook Reference); Dihyxal; BRN 1740268; 1,3-dihydroxyacetone; EINECS 202-494-5; |
C3H6O3 |
90.08 g/mol |
C(C(=O)CO)O |
|
TCMBANKIN057922 |
malonicacid |
malonic acid; MLI; AI3-15375; C00383; DICARBOXYLIC ACID C3; InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7; Dicarboxylate; PROPANEDIOIC ACID MALONIC ACID; AIDS-017691; malonic acid; 1,3-Propanedioic acid; Malonic acid (8CI); propanedioic acid; Carboxyacetic acid; Methanedicarboxylic acid; C02028; METAHNEDICARBOXYLIC ACID; Dicarboxymethane; Malonate standard for IC; C04025; alpha,omega-Dicarboxylic acid; 141-82-2; AIDS017691; MLA; NSC8124; PROPANEDIOLIC ACID; Usaf ek-695; 4-02-00-01874 (Beilstein Handbook Reference); HOOC-CH2-COOH; ST5213926; 49323_FLUKA; Propanedioic acid (9CI); M1296_SIAL; 211863-95-5; nchembio.2007.22-comp12; WLN: QV1VQ; CHEBI:30794; Kyselina malonova [Czech]; Dicarboxylic acid; NSC 8124; BRN 1751370; EINECS 205-503-0; LMFA01170041; 46938U_SUPELCO; H2malo |
C3H4O4 |
104.06 g/mol |
C(C(=O)O)C(=O)O |
|
TCMBANKIN057923 |
glycin |
Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY |
C2H5NO2 |
75.07 g/mol |
C(C(=O)O)N |
|
TCMBANKIN057929 |
serine |
(s)-serine;H-Ser; Serinum [Latin]; 56-45-1; SCHEMBL1775; L-Serine, Vetec(TM) reagent grade, >=99%; bmse000867; (2S)-2-amino-3-hydroxypropanoic acid; Serine (L-Serine); EC 200-274-3; 6898-95-9; CS-W020136; L-Serine, homopolymer; CHEBI:17115; H-Ser-OH; S0035; L-Serine, PharmaGrade, Ajinomoto, EP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture; 2-Amino-3-hydroxypropanoic acid-, (S)-; b-Hydroxy-L-alanine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-2-Amino-3-hydroxypropanoic Acid; BRN 1721404; EBD2198140; BC676679; Serinum; Serine (VAN); L-Serine;; NSC760115; (S)-(-)-Serine; AJ-24136; L-3-Hydroxy-2-aminopropionic acid; UNII-00PAR1C66F component MTCFGRXMJLQNBG-REOHCLBHSA-N; EINECS 200-274-3; TC-066532; L-Serine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%; ZINC895034; TL806218; (L)-SERINE; 61748-67-2; L-Serine, Vetec(TM), 98.5%; L-Serine, PharmaGrade, Ajinomoto, EP, USP, JP, Manufactured under appropriate controls for use in pharma or biopharmaceutical production, suitable for cell culture; NCGC00015952-01; Serine (USP); beta-Hydroxyalanine; L-Serine, BioUltra, >=99.5% (NT); Racemic serine; L-Serin; (S)-beta-Amino-3-hydroxypropionate; L-(-)-Serine; NSC 118365; Pharmakon1600-01301010; BR-73019; AK-73019; AmbotzHAA1129; (-)-Serine; (S)-alpha-Amino-beta-hydroxypropionic acid; (2S)-2-amino-3-hydroxy-propanoic acid; CTK1G9788; GTPL726; 452VLY9402; DB00133; 88848-EP2289892A1; MFCD00064224; l-2-Amino-3-hydroxy-propanoic acid; (S)-(+)-2-Amino-3-hydroxypropionic acid; Tocris-0226; (2S)-2-AMINO-2-CARBOXY-1-HYDROXYETHYL; AKOS015854115; 154605-73-9; bmse000048; alpha-Amino-beta-hydroxypropionic acid; bmse000809; MolPort-003-939-270; ser; LS-144975; 88848-EP2305825A1; (S)-a-Amino-b-hydroxypropionic acid; serine; RP09655; DB-029983; RP18847; AC1L1LHF; L-Serine (JP17); L-Serine, Pharmaceutical Secondary Standard; Certified Reference Material; AC-1190; .beta.-Hydroxyalanine; KSC269O8R; KB-53386; BDBM50357212; RTC-066532; NCGC00024507-02; NSC-760115; Lopac-S-4250; D00016; Serina; Propanoic acid, 2-amino-3-hydroxy-, (S)-; NCGC00024507-01; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; L-Serine, United States Pharmacopeia (USP) Reference Standard; MCULE-5604658333; AM20100375; (S)-Serine; SC-09827; Tocris-0227; L-2-Amino-3-hydroxypropionic acid; bmse000885; AB1002443; UNII-452VLY9402; beta-Hydroxy-L-alanine; 064S224; Serina [Spanish]; L-Serine, Cell Culture Reagent; HSDB 680; Serine, L-; FT-0693445; Serine, European Pharmacopoeia (EP) Reference Standard; L-serine; 3h-l-serine; C00065; (S)-alpha-Amino-beta-hydroxypropionate; L-Serine, certified reference material, TraceCERT(R); Serine [USAN:INN]; 25821-52-7; .alpha.-Amino-.beta.-hydroxypropionic acid-, (S)-; 2-Amino-3-hydroxypropanoic acid, (S)-; F1905-7047; (S)-2-amino-3-hydroxy-Propanoate; (S)-beta-Amino-3-hydroxypropionic acid; L-Serine, ReagentPlus(R), >=99% (HPLC); (S)-2-Amino-3-hydroxypropionic acid; L-Serine, >=99.0% (NT); SR-01000597708; (S)-2-Amino-3-hydroxypropanoate; AN-24441; ST2408299; BP-13282; (S)-2-amino-3-hydroxy-Propanoic acid; CHEMBL11298; 3-hydroxy-L-Alanine; MTCFGRXMJLQNBG-REOHCLBHSA-N; L-Serine, tested according to Ph.Eur.; D0T6GM; PubChem10994; VC30786; Epitope ID:150900; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-alanine; M-6047; FT-0627627; Z1270387256; SR-01000597708-1; 3AB40D3A-043A-488F-8361-D1BF309F842C; 4-04-00-03118 (Beilstein Handbook Reference); AB0008559; (S)-a-Amino-b-hydroxypropionate; SER (IUPAC abbrev); L-Alanine, 3-hydroxy-; L-ser; ACT08366; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropionic acid; Poly-L-serine; ANW-32514; rac-serine;(S)-2-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoic acid; Serinum [Latin]; S4311_SIGMA; NCGC00024507-02; NSC 118365; Lopac-S-4250; D00016; (2S)-2-amino-3-hydroxypropanoic acid; (-)-Serine; (2S)-2-amino-3-hydroxy-propionic acid; Propanoic acid, 2-amino-3-hydroxy-, (S)-; (S)-alpha-Amino-beta-hydroxypropionic acid; 6898-95-9; (2S)-2-amino-3-hydroxy-propanoic acid; NCGC00024507-01; L-Serine, homopolymer; CHEBI:17115; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-3-Hydroxy-alanine; Tocris-0226; (S)-Serine; Tocris-0227; BRN 1721404; L-2-Amino-3-hydroxypropionic acid; beta-Hydroxy-L-alanine; Serina [Spanish]; Serine (VAN); 84959_FLUKA; alpha-Amino-beta-hydroxypropionic acid; HSDB 680; Serine, L-; C00065; 4-04-00-03118 (Beilstein Handbook Reference); L-3-Hydroxy-2-aminopropionic acid; EINECS 200-274-3; L-Serine (JAN); SER (IUPAC abbrev); Serine [USAN:INN]; 25821-52-7; 78682_FLUKA; 2-Amino-3-hydroxypropanoic acid, (S)-; L-Alanine, 3-hydroxy-; S1315_SIGMA; NCGC00015952-01; Serine (USP); Poly-L-serine; beta-Hydroxyalanine; S4500_SIGMA;L-Serin |
C3H7NO3 |
105.09 g/mol |
C(C(C(=O)O)N)O |
|
TCMBANKIN057930 |
D-Cystine |
L-Dicysteine; CHEBI:16283; Cystine,d; C7602_SIGMA; Cystine D-form; C8755_SIGMA; Cystine, D-; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; Cystine (USAN); 56-89-3; (R,R)-3,3'-dithiobis(2-aminopropanoic acid); 3,3'-Dithiobis-L-alanine; Gelucystine; 349-46-2; L-Cystine (9CI); bis(beta-amino-beta-carboxyethyl) disulfide; L-alpha-Diamino-beta-dithiolactic acid; C5735_SIGMA; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid; D03636; EINECS 206-486-2; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid; 30199_FLUKA; Cystine, L- (8CI); (2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid); NCGC00166006-01; (R,R)-3,3'-Dithiobis(2-aminopropionicacid); C00491; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-keto-propyl]disulfanyl-propionic acid;cystine |
C6H12N2O4S2 |
240.3 |
C(C(C(=O)O)N)SSCC(C(=O)O)N |
|
TCMBANKIN057931 |
DMR |
CHEBI:30796; 02300_FLUKA; Malic acid, L(+)-; L(+)-Malic acid; C00497; InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9; butanedioic acid, 2-hydroxy-; (R)-()-2-Hydroxysuccinic acid; (2R)-2-hydroxysuccinic acid; D-()-Malic acid; D-Hydroxybutanedioic acid; EINECS 211-262-2; (R)-malic acid; Malic acid D-(+)-form; 2-HYDROXY-SUCCINIC ACID; MLS000069520; (2R)-2-hydroxybutanedioic acid; 46940U_SUPELCO; SMR000058580; (+)-D-malic acid; Malic acid, D-; R-malic acid; D- malic acid |
C4H6O5 |
134.09 g/mol |
C(C(C(=O)O)O)C(=O)O |
|
TCMBANKIN057938 |
XLS |
D-XYLOSE (LINEAR FORM); (2R,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde; D-xylo-pentose; CHEBI:15936; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanal; D-Xyl; HSDB 3273; (2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol; Xylose, pure; 141492-19-5; C02205; 25990-60-7; 2,3,4,5-Tetrahydroxypentanal; ZINC01529214; D-(+)-Xylose; Xylose, D- (8CI); (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol; Xylose (VAN); alpha-D-xylopyranose; (+)-Xylose; tetrahydropyran-2,3,4,5-tetraol; CCRIS 1899; NSC 122762; FEMA No. 3606; BRN 1562108; XYLOPYRANOSE; Xylose, D-; (D)-XYLOSE; Xylomed; CHEBI:28518; 4-01-00-04223 (Beilstein Handbook Reference); C01394; D-Xylose (9CI); 133-56-2; EINECS 200-400-7; Xylo-Pfan; AI3-19010; 6763-34-4; EINECS 247-395-8; Xylose [USAN]; XYS |
C5H10O5 |
150.13 |
C(C(C(C(C=O)O)O)O)O |
|
TCMBANKIN057940 |
D- threitol |
(2R,3R)-1,2,3,4-Butanetetrol; 1,2,3,4-Butanetetrol, (R*,R*)-; (2R,3R)-butane-1,2,3,4-tetrol; 89173_FLUKA; D-Threitol; 7493-90-5; ZINC00895269; 377619_ALDRICH; Threitol |
C4H10O4 |
122.12 g/mol |
C(C(C(CO)O)O)O |
|
TCMBANKIN057963 |
succinic acid |
NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid |
C4H6O4 |
118.09 g/mol |
C(CC(=O)O)C(=O)O |
|
TCMBANKIN057965 |
arginine |
L(+ )-arginine;EINECS 230-571-3; (2S)-2-amino-5-guanidino-pentanoic acid; EINECS 200-811-1; (S)-2-Amino-5-guanidinovaleric acid; DL-Arginine; (L)-Arginine; Arginine hydrochloride(USAN); 1-Amino-4-guanidovaleric acid; L-Ornithine, N5-(aminoiminomethyl)-; W381918_ALDRICH; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; Arginine [USAN:INN]; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Arginine, labeled with tritium; AI3-24165; AIDS-121865; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; NSC203450 (HYDROCHLORIDE); A5006_SIAL; (+-)-Arginine; L-Norvaline, 5-((aminoiminomethyl)amino)-; AIDS121865; Lopac0_000077; Tocris-0663; Arginine (VAN); 4455-52-1; CCRIS 3609; BRN 1725413; NCGC00015064-01; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; (2S)-2-amino-5-guanidinopentanoic acid; D02982; Argininum [INN-Latin]; C00062; 7200-25-1; A8094_SIGMA; 11009_FLUKA; Poly(L-arginine); (2S)-2-amino-5-guanidino-valeric acid; Lopac-A-5006; NSC 206269; HSDB 1429; CHEBI:16467; L-Arginine, homopolymer; L-Arginine (9CI); Arginina [INN-Spanish]; 4-04-00-02648 (Beilstein Handbook Reference); (S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; Arginine, L- (8CI); L-Arginine (JP15); EU-0100077; L-alpha-Amino-delta-guanidinovaleric acid; NSC7914 (HYDROCHLORIDE); Arginine (USP); 1119-34-2 (HYDROCHLORIDE); Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; L-Arg; L-Norvaline, 5-[(aminoiminomethyl)amino]-; 142-49-4; A4474_SIAL; InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s; L-Arginin; Arginine, DL-; NCGC00024715-01;AC1ODX8E; [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium; [AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM |
C6H14N4O2 |
174.2 g/mol |
C(CC(C(=O)O)N)CN=C(N)N |
|
TCMBANKIN057975 |
lysine acid |
|
C6H14N2O2 |
146.19 g/mol |
C(CCN)CC(C(=O)O)N |
|
TCMBANKIN057986 |
EG |
NSC35747; 81310_FLUKA; Glycol, polyethylene (600); c0542; Sentry polyox WSR (TN); 73034_FLUKA; 1,2-ETHANEDIOL (GLYCOL); 02393_FLUKA; 95172_FLUKA; Carbowax 300; 03747_FLUKA; 81180_FLUKA; Methoxypolyethylene glycol; NSC 93876; 202487_ALDRICH; 03468_FLUKA; P4338_SIAL; 81202_FLUKA; Polyethylene glycol, diglycidyl bisphenol A polymer; Polyethylene glycol compound; 81288_FLUKA; 293237_ALDRICH; P0694_SIAL; 372811_ALDRICH; CCRIS 3744; 637726_ALDRICH; Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-; 44101_FLUKA; 81292_FLUKA; 146AR; 181986_ALDRICH; D06424; M.e.g.; Methoxy poly(ethylene glycol); CHEBI:30742; 81294_FLUKA; 81190_FLUKA; 03469_FLUKA; Macrogol 400 (TN); NSC32853; 37225-26-6; AIDS017549; 81272_FLUKA; 81208_FLUKA; NCGC00091510-01; Ethylene glycol; 372838_ALDRICH; Macrogol 6000 (JP15); Ethane-1,2-diol; 81162_FLUKA; Ethylene dihydrate; NSC152325; P7181_SIGMA; Solbanon (TN); 81210_FLUKA; 03465_FLUKA; 182028_ALDRICH; 81298_FLUKA; 03466_FLUKA; 87006_FLUKA; NSC32856; Union Carbide XL 54 Type I De-icing Fluid; Carbowax 1540; 81260_FLUKA; Lutrol E (TN); Polyethylene oxide; 95904_FLUKA; 81304_FLUKA; Caswell No. 441; 03463_FLUKA; 17738_FLUKA; 81170_FLUKA; Macrogol 1500 (JP15); P4463_SIAL; 81268_FLUKA; 85978_FLUKA; NSC57859; 03997_FLUKA; 71578_FLUKA; PEG 3600; Macrogol (JP15); P5413_SIAL; 81296_FLUKA; Glycol, polypropylene (P750); NCI-C00920; D06422; M6768_SIGMA; P3515_SIGMA; 202436_ALDRICH; 90878_FLUKA; Polyethylene glycol 200; D06423; 88440_FLUKA; NSC35749; 182001_ALDRICH; Ucar 17; DuPont Zonyl FSO Fluorinated Surfactants; 71767-64-1; Polyethylene oxide (NF); NCIOpen2_002100; Fridex; 87333_FLUKA; P3640_SIGMA; 81172_FLUKA; 88276_FLUKA; 372803_ALDRICH; Lutrol E; Glycol, polypropylene (P400); NSC35748; 03395_FLUKA; P1458_SIAL; Tescol; P7777_SIGMA; 03473_FLUKA; Poly(ethylene glycol) methyl ether; 84184_FLUKA; P2263_SIGMA; DuPont Zonyl FSE Fluorinated Surfactants; 373001_ALDRICH; Macrogol 6000 (TN); 81150_FLUKA; Lutrol-9; NSC32855; NSC35746; POLYETHYLENE GLYCOL; InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H; A-GLYCOL; 81201_FLUKA; Macrogol 1500 (TN); 324558_ALDRICH; 81284_FLUKA; Methoxypolyethylene glycol 350; 81289_FLUKA; NSC35745; 107-21-1; 81160_FLUKA; Carbowax 4000; 83272_FLUKA; ethanediol; 94646_FLUKA; D03370; 81323_FLUKA; 03461_FLUKA; 202371_ALDRICH; Undecaethylene glycol; 81293_FLUKA; Polyethylene glycol/Polyethylene oxide standard ReadyCal set Mp 500-2'740'000; 202495_ALDRICH; D06418; 1,2-Dihydroxyethane; HO-CH2-CH2-OH; 83271_FLUKA; 2219-51-4; AI3-03050; Macrogol 1500; C15588; Zerex; D06419; 81280_FLUKA; C01380; 89782_FLUKA; P7306_SIGMA; NSC93876; 202401_ALDRICH; 81269_FLUKA; Lutrol 9; 372773_ALDRICH; P6644_SIAL; 03394_FLUKA; EGL; 81206_FLUKA; Polyethylene glycol 3'000 monodispers solution; 03467_FLUKA; 33068_RIEDEL; 81275_FLUKA; Dowtherm SR 1; 76293_FLUKA; 55235_FLUKA; P6667_SIAL; 202509_ALDRICH; 189464_ALDRICH; NSC155081; D06420; 81205_FLUKA; HSDB 5012; 81221_FLUKA; 81212_FLUKA; Polyethylene oxide Standard 10'000; EPA Pesticide Chemical Code 042203; Glycol, ethylene-; 81213_FLUKA; 81187_FLUKA; Macrogol; 92897_FLUKA; Macrogol 6000; Carbowax 6000; 81227_FLUKA; 81209_FLUKA; 372994_ALDRICH; 81290_FLUKA; 81253_FLUKA; 81200_FLUKA; Dowtherm 4000; Poly(ethylene oxide); P3265_SIGMA; P3015_SIAL; 81242_FLUKA; 309028_ALDRICH; mono-Methyl polyethylene glycol; 372781_ALDRICH; P5402_SIAL; 81300_FLUKA; D06421; Glycol, polyethylene (400); 81230_FLUKA; Carbowax 400; 1,2-ethanediol; EDO; 03770_FLUKA; EINECS 203-473-3; 189472_ALDRICH; ZINC05224354; PEG 400; Sentry polyox WSR; Polyethylene glycol solution; Solbanon; PEG solution; Polyethylene glycol (NF); 81291_FLUKA; monoethylene glycol; Macrogol 400 (JP15); Macrogol 4000 (TN); 181994_ALDRICH; 202452_ALDRICH; Athylenglykol; PEG 600; 03464_FLUKA; NCIOpen2_002019; mono-Methyl polyethylene glycol 350; ST5214442; 91893_FLUKA; Macrogol 20000; NSC152324; 81282_FLUKA; 189456_ALDRICH; WLN: Q2Q; 295906_ALDRICH; 102466_ALDRICH; 81240_FLUKA; 1,2-Ethandiol; 37221-95-7; Macrogol 400; MPEG; 81396_FLUKA; 202444_ALDRICH; Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl); 89510_FLUKA; 81214_FLUKA; Poly(ethylene glycol); Macrogol 4000 (JP15); 202398_ALDRICH; NSC32854; P2906_SIGMA; Polyethyleneglycol Bisphenol A Epichlorohydrin Copolymer; Carbowax 1000; 81286_FLUKA; 2-hydroxyethanol; 03462_FLUKA; 81287_FLUKA; 81188_FLUKA; Norkool; 84797_FLUKA; GLYCOL; 81283_FLUKA; P2139_SIAL; 96699_FLUKA; Macrogol 400 BPC; Ethylene alcohol; 81255_FLUKA; Glycol, polyethylene; 86101_FLUKA; Aethylenglykol [German]; Polyethylene glycol standard set Mp 400-40'000; 03557_FLUKA; Glycol, polypropylene (P1200); 81285_FLUKA; NCIOpen2_001979; Macrogol 20000 (JP15); Polyethylene glycol monomethyl ether; Glycol alcohol; 81189_FLUKA; ethylene-glycol; AIDS-017549; 25322-68-3; glycol |
(C2H4O)nH2O (n = number of ethylene oxide units corresponding to a molecular weight of 6 000, about 140); C2H6O2 |
62.07 g/mol |
C(CO)O |
|
TCMBANKIN057988 |
taurine |
N-propyl-4-[5,10,13,14-tetramethyl-3,7,12-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide; A801680; N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide |
C2H7NO3S |
125.15 g/mol |
C(CS(=O)(=O)O)N |
|
TCMBANKIN057992 |
betaine |
Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 |
C5H11NO2 |
117.15 g/mol |
C[N+](C)(C)CC(=O)[O-] |
|
TCMBANKIN057994 |
n-candicine |
candicine;AK608281; 2-(4-hydroxyphenyl)ethyl-trimethylazanium; 2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide; AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-; NCGC00246201-01; BDBM73699; P-HYDROXYPHENYLETHYLTRIMETHYLAMMONIUM; 6656-13-9; 2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide; SMR000386994; C10575; SCHEMBL9561478; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium; Candicine; MLS001048976; BRN 4133224; maltoxin; STOCK1N-09195; LS-18378; AC1L2LQA; cid_15127809; 2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium; 2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide; CHEBI:3350; AKOS030573561; BENZENEETHANAMINIUM,4-HYDROXY-N,N,N-TRIMETHYL-; CHEMBL1186075; 4-Hydroxy-N,N,N-trimethylbenzeneethanaminium; MCULE-2664478913; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl- (9CI); FT-0737753; Candicin; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide; ZINC518912 |
C11H18NO+ |
180.27 g/mol |
C[N+](C)(C)CCC1=CC=C(C=C1)O |
|
TCMBANKIN057996 |
tembetarine |
(+)-tembetarin;tembetarine |
C20H26NO4+ |
344.4 g/mol |
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C |
|
TCMBANKIN057998 |
magnoflorine |
NSC150447; AKOS025401511; Magnoflorine; Escholine Iodide; C20H24NO4.I; Magnoflorine, iodide; Thalictrine Iodide; Magnoflorine Iodide (6CI,7CI); N2506; AC-20269; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, iodide, (S)-; Magnoflorine-iodide; NSC 150447; MAGNOFLORINE IODIDE; MAGNOFLORINE IODIDE, (+)-(RG); Magnoflorineiodide; BG01755204; (+)-Magnoflorine Iodide; CHEMBL494052; Corytuberine Methiodide; MolPort-006-069-296; NSC-150447; 4277-43-4; (+)-MAGNOFLORINE IODIDE; 1,11-Dihydroxy-2,10-dimethoxy-6-methyl-6a; AK608288; A-aporphinium Iodide; 8167AH; DTXSID00195420; (6aS)-5,6,6a,7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium Iodide; magnoflorine; (+)-magnoflorine |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
|
TCMBANKIN057999 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; meruspermine; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN058002 |
fagaridine |
isofagaridine |
C20H16NO4+ |
334.3 g/mol |
C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN058004 |
trigonelline |
Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline |
C7H7NO2 |
137.14 g/mol |
C[N+]1=CC=CC(=C1)C(=O)[O-] |
|
TCMBANKIN058005 |
cissamine |
DTXSID00171789; 18556-27-9; 6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)-; AC1MIY8A; (S,S)-N-methylscoulerine; (7S,13aS)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolinium; (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol; Cyclanoline; ZINC255226625; CHEBI:76923; S-trans-cyclanoline; (S)-cis-N-methylscoulerine; (6S,12BS)-4,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-7,8,12B,13-TETRAHYDRO-5H-6-AZATETRAPHEN-6-IUM; Cissamine;cyclanoline |
C20H24NO4+ |
342.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC |
|
TCMBANKIN058011 |
protoanemonin |
2(5H)-Furanone, 5-methylene-; cis-4-Methylenebut-2-en-4-olide; 5-methylidenefuran-2-one; 1661AA; AJ-23381; AX8107338; UNII-66FQZ1A5SO; 108-28-1; 5-methylenefuran-2-one; c0298; RNYZJZKPGHQTJR-UHFFFAOYSA-N; ZINC538242; AC1L26IQ; 5-methylene-2-furanone; AK109163; AC1Q6ARH; DTXSID10148346; KB-246623; FT-0619081; 66FQZ1A5SO; protoanemonin ; TC-161759; 5-Methylenefuran-2(5H)-one; EINECS 203-567-4; AC1Q6ARG; CTK4A5960; ANW-73014; CHEBI:28906; Protoanemonin; 4-Methylenebut-2-en-4-olide; C07090; 5-methylene-2(5H)-furanone; AKOS006272494;anemonol |
C5H4O2 |
96.08 g/mol |
C=C1C=CC(=O)O1 |
|
TCMBANKIN058012 |
9-methylenefluorene |
9-Methylene-9H-fluorene; 9-Methylene-fluorene; 9-methylidenefluorene; 9H-Fluorene, 9-methylene-; 4425-82-5 |
C14H10 |
178.23 g/mol |
C=C1C2=CC=CC=C2C3=CC=CC=C13 |
|
TCMBANKIN058015 |
1(7),8(10)-p-menthadien-9-ol |
1-(4-methylidenecyclohexyl)ethenol; AC1NSXYP;1-(4-methylidenecyclohexyl)ethenol; 1(7),8(10)-p-Menthadien-9-ol;2-(4-Methylenecyclohexyl)-2-propen-1-ol; 2-(4-methylidenecyclohexyl)prop-2-en-1-ol; 2-(4-methylenecyclohexyl)prop-2-en-1-ol; 29548-13-8; p-Mentha-1(7),8(10)-dien-9-ol;p-Mentha-1(7),8(10)-dien-9-ol;BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL;p-mentha-1(7),8(10)-dien-9-ol;1-(4-methylenecyclohexyl)ethenol |
C10H16O |
152.23 g/mol |
C=C1CCC(CC1)C(=C)CO |
|
TCMBANKIN058019 |
Tulipane |
226416_ALDRICH; 3-methylene-2-tetrahydrofuranone; tulipalin; 3-methylideneoxolan-2-one; 547-65-9; LMSV-6; Dihydro-3-methylene-2(3H)-furanone; 2(3H)-Furanone, dihydro-3-methylene-; Securolide; .alpha.-Methylene-.gamma.-butyrolactone; alpha-Methylene-gamma-butyrolactone; 66735_FLUKA; AI3-63021; Tulipalin; NSC 205367; alpha-Methylene butyrolactone; AIDS340092; EINECS 208-931-6; .alpha.-Methylene butyrolactone; 3-methylenetetrahydrofuran-2-one; ZINC01740871; 3-methylenedihydrofuran-2(3H)-one; NSC205367; 3-Methylenedihydro-2(3H)-furanone; InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H; AIDS-340092; Tulipalin A |
C5H6O2 |
98.1 |
C=C1CCOC1=O |
|
TCMBANKIN058025 |
styrene |
105270-05-1; cinnamene; phenyl-ethylene; 61584-90-5; C19506; PPBRXRYQALVLMV-UHFFFAOYSA-N; 81415_FLUKA; 5487-EP2277945A1; MFCD00084450; CJ-04646; 52932-49-7; Benzene, ethenyl-, homopolymer; 20215_SUPELCO; Polystyrene, atactic; InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H; S4972_SIAL; 81413_FLUKA; 51609-87-1; Styrene, analytical standard; AKOS000119972; Polystyrene standard, M.W. 1,300, Mw/Mn 1.06; 182435_ALDRICH; viny lbenzol; Chromosorb 102,100/120 50G; S0651; 9055-91-8; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; 189596_ALDRICH; 61584-89-2; 37291-EP2311803A1; Polysorb; 379514_ALDRICH; 00945_FLUKA; 79637-11-9; 5487-EP2269995A1; 5487-EP2295426A1; Cinnamene; 172641-48-4; 730985-59-8; NCGC00091056-01; 5487-EP2309584A1; CCRIS 564; 81406_FLUKA; AI3-24374; 81412_FLUKA; 117294-EP2287158A1; 78354-47-9; 1191987-17-3; 110866-50-7; W323306_ALDRICH; Benzene, ethenyl-, homopolymer, hydrogenated; Polystyrene standard, M.W. 2,200, Mw/Mn 1.06; UN 2055 (Salt/Mix); 149212-19-1; 100-42-5; Vinylbenzene, inhibited; Cinnamenol; 1263545-74-9; 5487-EP2305686A1; Styrene 5000 ng/microl in Methanol; Ethenylbenzene; 373601-20-8; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Phenethylene; FT-0689054; Polystyrene standard, M.W. 13,000, Mw/Mn 1.06; Styrene, SAJ first grade, >=99.0%; Styrol [German]; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; 58033-91-3; Styren; CHEBI:27452; MALDI validation set polystyrene Mp 500-70'000 certified according to DIN; 5487-EP2295415A1; Styrene Resin (Med.M.Wt.); Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; 327808_ALDRICH; Chromosorb 106, 60/80 MESH, 50GM; 171022-09-6; Styrene polymer; 461733_ALDRICH; 03565_FLUKA; Styren [Czech]; 851588-70-0; NCGC00091056-03; Polystyrene standard, M.W. 30,000, Mw/Mn 1.06; DTXSID2021284; 00928_FLUKA; 5487-EP2298313A1; Polystyrene high Mol. Wt.; 40494-15-3; 5487-EP2275418A1; Styropor (Salt/Mix); RP18837; 55465-00-4; 5487-EP2287168A2; 12770-88-6; 81418_FLUKA; Styrene, 99.5% stab. with 4-tert-Butylcatechol; 81402_FLUKA; 131495-39-1; 5487-EP2270113A1; 11120-46-0; KSC176E4F; 81834-12-0; Polystyrene (100-200 mesh, PEG crosslinked); PhCH=CH2; Styropol (Salt/Mix); 327794_ALDRICH; Styrene 100 microg/mL in Methanol; Vinylbenzol; Styropol SO; Phenylethene; Vinylbenzen [Dutch]; 459364_ALDRICH; NSC-62785; Benzene, ethenyl-; Styron; Cinnaminol; 5487-EP2289883A1; Styrene solution; CHEMBL285235; 1161074-30-1; Chromosorb 103; Stirolo [Italian]; Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-; 53112-49-5; 5487-EP2289896A1; EINECS 273-493-5; Tox21_200808; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; 81407_FLUKA; 5487-EP2305685A1; Styrene monomer, inhibited; Vinyl benzene; 157929-02-7; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; 54596-41-7; 20202_SUPELCO; Ethylene, phenyl-; 5487-EP2280014A2; Styrene, 99%, stabilized 100ml; 5487-EP2380568A1; NCGC00091056-02; 00953_FLUKA; 1083095-63-9; W550159_ALDRICH; Polystyrene solution; Annamene; Chromosorb 101; 25038-60-2; 2-phenylethenyl; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; 00949_FLUKA; Polystyrene standard, M.W. 290,000, Mw/Mn 1.06; 68987-41-7; Ethylbenzene alkylate; 143365-EP2292620A2; Styreen; 86090-91-7; 327719_ALDRICH; 219782-52-2; 441772-62-9; 53986-84-8; 5487-EP2380867A1; 487021-46-5; 359762-95-1; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; KB-60631; 117294-EP2298762A2; 25086-18-4; 53395_FLUKA; 00946_FLUKA; 57657-06-4; 726192-11-6; Tox21_113245; 5487-EP2301924A1; NSC 62785; BIDD:ER0247; 39470-87-6; 143365-EP2287165A2; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; DSSTox_RID_76057; Phenylethylene, inhibited; 327824_ALDRICH; EC 202-851-5; 1198090-46-8; AC1Q2AAB; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; 5487-EP2311804A2; Polystyrene,flame retarding and impact resistant; 5487-EP2308832A1; 51876_FLUKA; 68441-35-0; Vinyl-benzene; 60880-98-0; DSSTox_CID_1284; 9044-64-8; Polystyrene standard, M.W. 5,200, Mw/Mn 1.06; STYRENE; NCGC00258362-01; Vinylbenzene; 23065-05-6; 644984-36-1; Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30; NCI-C02200; 143365-EP2287166A2; c0115; Bulstren K-525-19; 471865-10-8; Polystyrene standard, M.W. 25,000, Mw/Mn 1.06; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Ethylenated benzene; 54578-24-4; 459410_ALDRICH; Polystyrene standard, M.W. 170,000, Mw/Mn 1.06; 81416_FLUKA; 00952_FLUKA; 00948_FLUKA; 8053AF; 00947_FLUKA; 327743_ALDRICH; Ethenylbenzene, 9CI; Polystyrene med Mol. Wt.; S0095; AN-24550; 5487-EP2311798A1; Styrene polymer-bound; 81401_FLUKA; 5487-EP2314577A1; 124229-31-8; CTK0H6242; Phenylethylene; Polystyrene latex microsphere, 1 micron, dry form; 459402_ALDRICH; Polystrene Standard broad 350'000; 20225_SUPELCO; Styron (Salt/Mix); Polystyrene standard, M.W. 4,000, Mw/Mn 1.06; 81409_FLUKA; 00926_FLUKA; 55128-06-8; Vinyl-polystyrene; Vinylbenzen [Czech]; 00951_FLUKA; 260975-79-9; 98444-30-5; Styrene monomer; Styrolene; 852837-17-3; ZB015538; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; 5487-EP2284165A1; 120037-99-2; FEMA Number 3234; Diarex hf 77; MCULE-4715354738; 5487-EP2311796A1; 182427_ALDRICH; 172867-64-0; 441147_ALDRICH; 161776-45-0; Styrene monomer, inhibited [UN2055] [Flammable liquid]; 45993_RIEDEL; 327786_ALDRICH; KS-00000VQV; 459372_ALDRICH; 327816_ALDRICH; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Styreen [Dutch]; 81417_FLUKA; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Styrene (monomer); Polystyrene standard, M.W. 123,000, Mw/Mn 1.08; 5487-EP2272849A1; Polystyrene standard, M.W. 900,000, Mw/Mn 1.10; 81403_FLUKA; TRA0031624; Polystyrene standard, M.W. 65,000, Mw/Mn 1.06; 5487-EP2298743A1; 155197-45-8; 63849-49-0; NCGC00091056-04; 81411_FLUKA; 81404_FLUKA; Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g; 5487-EP2272832A1; Polystyrene standard, M.W. 3,350, Mw/Mn 1.10; 459461_ALDRICH; 360046-70-4; ZINC112958499; I01-4405; 9003-53-6; 47745U_SUPELCO; Benzene, ethylenated; Styrol (German); Diarex hf 77 (Salt/Mix); 5487-EP2295438A1; ethenyl-benzene; 117294-EP2275408A1; Polystyrene, minimum number average molecular weight (in amu), 50,000; 37291-EP2311802A1; Polystyrene standard, M.W. 400,000, Mw/Mn 1.06; 20217_SUPELCO; 5487-EP2308857A1; 40257U_SUPELCO; 12627-11-1; UNII-44LJ2U959V; ANW-14280; ZINC968269; 1160710-79-1; C07083; Styrene solution, certified reference material, 200 mug/mL in methanol; 1227265-55-5; 53397_FLUKA; 330353_ALDRICH; 171022-02-9; POLYSTYRENE; Styrol; 459399_ALDRICH; Styrole; Stirolo; Polystrene Standard 88'000; Polystrene Standard broad 206'000; HSDB 171; Chromosorb 106; 327778_ALDRICH; Styropor; RT-000109; 327751_ALDRICH; 5487-EP2292593A2; LS-304; 459380_ALDRICH; 5487-EP2270101A1; 5487-EP2311797A1; 81419_FLUKA; 44LJ2U959V; 5487-EP2314579A1; 5487-EP2298753A1; p-vinyl benzene; 327727_ALDRICH; CAS-100-42-5; A800199; 60328-46-3; AC1L1OWJ; FT-0659991; 5487-EP2311799A1; NSC62785; 81410_FLUKA; MolPort-001-779-766; EINECS 202-851-5; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene standard, M.W. 2,000, Mw/Mn 1.10; FEMA No. 3233; 459356_ALDRICH; BP-13451; 56451-72-0; 81414_FLUKA; Styrene, >=99%; 81408_FLUKA; Cinnamol; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Styrene monomer, inhibited [UN2055] [Flammable liquid]; Styropol; 00954_FLUKA; Z966690906; Polystyrene standard, M.W. 50,000, Mw/Mn 1.06; Benzene-d5, ethenyl-d3-; STL283958; 137262-45-4; 331651_ALDRICH; 450383_ALDRICH; 120534-26-1; CARINE; Chromosorb 103,80/100,50G; 5487-EP2305668A1; Benzene, vinyl-; 144637-93-4; 5487-EP2308865A1; 56748-62-0; 5487-EP2295427A1; 124229-48-7; 330345_ALDRICH; MFCD00008612; WLN: 1U1R; NCGC00091056-05; 5487-EP2272935A1; 60120-16-3; 1187742-34-2; Styrene, ReagentPlus(R), 99.9%; UN2055; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Chromosorb 102; Vinylbenzen; DSSTox_GSID_21284; F1908-0130; 157243-21-5; 430102_ALDRICH; Styrene; 5487-EP2295420A1; Polystyrene, hydrogenated; Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene standard, M.W. 650,000, Mw/Mn 1.06; Styrene-divinylbenzene Copolymer; SC-75569; 48347_SUPELCO |
C8H8 |
104.15 g/mol |
C=CC1=CC=CC=C1 |
|
TCMBANKIN058035 |
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-;sweroside |
(4aS,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon1_000233; (4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 14215-86-2; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon0_001457; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; MEGxp0_000813 |
C16H22O9 |
358.34 |
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058041 |
chavicol |
Phenol,4-(2-propen-1-yl)-; Phenol, p-allyl- (8CI); I14-56356; .gamma.-(p-Hydroxyphenyl)-.alpha.-propylene; alpha -propylene; AC1Q7A4U; 3-(p-Hydroxyphenyl)-1-propene; LS-167638; 4-Allylphenol; p-Chavicol; EINECS 207-929-2; NSC-290195; laquo gammaRaquo -(p-hydroxyphenyl)-alpha -propylene; MFCD01940501; SCHEMBL30870; W-4067; AKOS006278514; p-Allylphenol; KS-000009EP; NSC290195; AB0197728; 501A928; CCRIS 3208; MCULE-8960123940; 4-(2-propenyl)-phenol; RGIBXDHONMXTLI-UHFFFAOYSA-; 4-(Prop-2-enyl)-phenol; CHEBI:50158; CHEMBL108862; InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2; CHAVICOL; Phenol, 4-(2-propenyl)-; p-Allyl-Phenol; AN-21426; p-Hydroxyallylpropene; NSC 290195; ZINC1565456; RGIBXDHONMXTLI-UHFFFAOYSA-N; Phenol, 4-(2-propenyl)- (9CI); UNII-T5721BH5Z4 component RGIBXDHONMXTLI-UHFFFAOYSA-N; KB-239888; AC1L294Y; Phenol, p-allyl-; 4-prop-2-enylphenol; 501-92-8; SC-22043; 4-(prop-2-en-1-yl)phenol; 3-(4-Hydroxyphenyl)-1-propene; UNII-Q5ER4K6969; 4-(2-Propenyl)phenol; p-Hydroxyallylbenzene; CJ-24615; BBL018739; C16930; 4-Allyl-Phenol; Q5ER4K6969; CTK4J2234; DTXSID60198210; MolPort-006-111-494; gamma-(p-Hydroxyphenyl)-alpha-propylene; Chavicol;4-allylphenol;4-(2-propenyl)- phenol |
C9H10O |
134.18 |
C=CCC1=CC=C(C=C1)O |
|
TCMBANKIN058043 |
safrole |
saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol |
C10H10O2 |
162.19g/mol |
C=CCC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN058046 |
allyl isothiocyanate |
Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard |
C4H5NS |
99.16 g/mol |
C=CCN=C=S |
|
TCMBANKIN058052 |
diAllS2 |
3-prop-2-enyldisulfanylprop-1-ene; NSC 29228; Di(2-propenyl) disulfide; W202800_ALDRICH; Allyl disulphide; 3,3'-dithiobis(prop-1-ene); NCI60_002410; ZINC01531082; AI3-35128; SPECTRUM1505174; HSDB 595; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2179-57-9; Allyl disulfide; AIDS-005092; BRN 1699241; Diallyl disulphide; NCGC00095294-01; NSC29228; CHEBI:4488; Disulfide, di-2-propenyl; AIDS005092; C08369; 317691_ALDRICH; 3-allyldisulfanylprop-1-ene; 2-Propenyl disulfide; 3,3'-disulfanediylbis(prop-1-ene); 3-(allyldisulfanyl)-1-propene; 4,5-Dithia-1,7-octadiene; 4-01-00-02098 (Beilstein Handbook Reference); FEMA No. 2028; NCGC00095294-02; EINECS 218-548-6; 32621_FLUKA; CCRIS 6290; Diallyl disulfide; 2-Propenyl disulphide;allyl disulfide;diallyldisulfide;CAS-2179-57-9; DSSTox_RID_79248; CCG-214421; NCI60_002410; C-27435; Jsp004430; AI3-35128; HSDB 595; di-Propenyl disulfide; Allyl disulfide; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; SPECTRUM1505174; ZINC1531082; LS-16413; NCGC00095294-01; DTXSID9035206; TC-040016; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; CHEBI:4488; SCHEMBL93944; MolPort-003-665-653; SR-05000002379; MFCD00008656; Garlicin?; DSSTox_CID_15206; CJ-24085; NSC-29228; Disulfide,di-2-propenyl; TRA0072391; FCH1114751; 2-Propenyl disulphide; Di(2-propenyl) disulfide; 3-(Allyldisulfanyl)-1-propene; 3-Allyldisulfanyl-Propene; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard; AN-20744; FEMA 2028; diAllS2; CTK3J1568; CHEMBL366603; J-014293; Allitin; ACMC-1CDL1; Allyl disulfide, >=80%, FG; BDBM50318453; AC1L28A0; Disulfide, di-2-propen-1-yl; 1,2-Diallyldisulfane; A815665; FEMA No. 2028; 7491AF; NCGC00095294-02; API0002303; AKOS015840490; AK307043; ANW-24581; 3-(prop-2-enyldisulfanyl)prop-1-ene; 5HI47O6OA7; NSC 29228; DB-003623; Allyl disulphide; diprop-2-enyl disulfide; CJ-05228; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, technical grade, 80%; DIALLYL DISULFIDE; 2179-57-9; Diallyldisulfide; ST51038174; KS-00000V5X; 3-(Allyldisulfanyl)-1-propene #; Diallyl disulfide, analytical standard; C6H10S2; 2-Propenyl disulfide; 4,5-Dithia-1,7-octadiene; D0071; EINECS 218-548-6; Diallyl disulfide, >=98% (HPLC); CCRIS 6290; PFRGXCVKLLPLIP-UHFFFAOYSA-N; Tox21_302178; MCULE-7486690483; UNII-5HI47O6OA7; 3-(allyldisulfanyl)prop-1-ene; Di-2-propenyl disulfide, 9CI; I09-0165; RTC-040016; KSC491K6R; NCGC00255533-01; BRN 1699241; Diallyl disulphide; NSC29228; DSSTox_GSID_35206; Disulfide, di-2-propenyl; CC-26440; C08369; 3,3'-disulfanediylbis(prop-1-ene); SC-77190; di-2-Propenyl disulfide; diallyldisulphide; 3-(prop-2-enyldisulfanyl)-1-propene; AC1Q7EA7; FT-0624594; SR-05000002379-1;diallyl disulfide ; diallyl disulfide |
C6H10S2 |
146.27 |
C=CCSSCC=C |
|
TCMBANKIN058055 |
divinyl sulfide |
627-51-0; ethenylsulfanylethene; Vinyl sulfide; UNII-CL87X0NVJA; Ethene, 1,1'-thiobis-(9CI); 3-Thia-1,4-pentadiene; Vinyl sulfide, 8CI; (ethenylsulfanyl)ethene; BRN 1733369; thiodiethylene; Ethene, 1,1'-thiobis-; diethenyl sulfide; UIYCHXAGWOYNNA-UHFFFAOYSA-N; CTK5B5879; 1,1'-Thiobis-Ethene; (CH2=CH)2S; Divinyl thioether; AC1L1ZC9; LS-67660; 1,1'-Thiobisethene, 9CI; InChI=1/C4H6S/c1-3-5-4-2/h3-4H,1-2H; 1-(Vinylsulfanyl)ethylene #; DTXSID10211766; 1,1'-THIOBISETHENE; CL87X0NVJA; Divinyl sulfide; 1-(Vinylsulfanyl)ethylene |
C4H6S |
86.16 g/mol |
C=CSC=C |
|
TCMBANKIN058057 |
D-Chiro-Inositol |
Chiro-inositol;mesoinositol; Myo-inositol; i-inositol; Inositol-c; scyllo-insitol; Inositol;KS-00001292; TR-022051; BG01505581; MFCD01321249; CTK1C5947; AKOS024318869; INOSITOL (D); Inositene; CHEBI:27374; D-(+)-chiro-Inositol; LT03328768; I-6500; 2H3; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; D07CPO; W-203081; NCGC00178580-01; ZINC103574430; Myoinositol; ZINC100019018; NSC-103959; SCHEMBL13114116; UNII-1VS4X81277; 12513-EP2292610A1; AKOS015912934; NSC25142; Inosite; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; BG00909558; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; BG01505582; NSC-127230; AK307531; Inositol, cis-; NSC 8101; 643-12-9; CHEBI:23311; MolPort-001-785-905; NSC-404118; KB-296111; 12513-EP2316831A1; K572; MolPort-003-719-862; Inositol, chiro-; Inositol (VAN8C; Isoinositol; I14-47230; GTPL4645; s4530; EINECS 211-394-0; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; CHEBI:22357; AK324051; Inositol [USAN:NF]; bmse000922; CDAISMWEOUEBRE-OQYPVSDDSA-N; DSSTox_RID_76890; NCGC00255362-01; 1VS4X81277; 1D-Chiro-inositol; chiro-inositol; BG01505565; 488-55-1; BG01505566; AKOS015960429; NSC103959; 576-63-6; SBI-0051369.P003; 1,2,4,5/3,6-cyclohexanehexol; I14-2742; 12513-EP2277880A1; AKOS015960633; J101.891D; A834712; Scyllitol; CHEBI:23927; KM0846; 1,2,3,4,5,6-Hexahydroxycyclohexane; Spectrum3_001053; HMS2091N13; MLS001332378; MolPort-001-742-552; NCIOpen2_008191; Cocositol; Phaseomannitol; Scyllite; myo-Inositol, 98% 100g; BSPBio_002606; KBio2_002075; FT-0693614; Inositol, United States Pharmacopeia (USP) Reference Standard; TR-017741; CCRIS 6745; STL453612; ZINC253837650; I0631; D03SHD; SCHEMBL6791918; 3635-EP2292088A1; AB00051982_13; CHEBI:17268; TR-022053; Iso-inositol; MFCD00077932; CTK8B3795; myo-Inositol, >=99%; GTPL4495; C19891; KSC225S4P; ZINC100073149; DSSTox_GSID_23146; MLS001335965; TL8004551; SMR000857319; bmse000102; AJ-26654; 887751-76-0; DB03106; UNII-9O6Y5O4P9W; 38876-99-2; myo-Inositol, BioUltra, >=99.5% (HPLC); Inositol, neo-; Matezodambose; 6R79WV4R10; I0040; Mesol; W-203392; NSC404118; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; Rat antispectacled eye factor; Inositol FCC; 3635-EP2305682A1; 1,2,3,5/4,6-Cyclohexanehexol; BG01505593; cis-Inositol, >=98.0% (TLC); Tox21_302035; CDAISMWEOUEBRE-LOLGQZEGSA-N; 643-10-7; AKOS027327401; 1,2,4/3,5,6-Hexahydroxycyclohexane; 3635-EP2295417A1; CHEMBL278373; FT-0652045; 3635-EP2305677A1; 1,2,3,4,5,6-Cyclohexanehexol; Neo-inositol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Q-201583; Hexahydroxycyclohexane; SCHEMBL187278; (1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; CHEMBL1231671; EINECS 207-682-0; I14-47232; 1D-myo-Inositol; CHEMBL468154; SCHEMBL13058696; SC-18136; 3635-EP2280282A1; DB13178; 3635-EP2289886A1; Spectrum_001595; Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; NSC-757076; AKOS006240678; I14-60538; 12513-EP2374790A1; CJ-23964; AK102790; UNII-63GQX5QW03; INS; 87-89-8; Scyllite (for the structural isomer scyllo-Inositol); 2os9; CHEMBL1222251; I14-47231; MLS001335966; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; alloinositol; ANW-43204; 4irx; KS-1420; Inositol (VAN); inositols; 4L6452S749; C06153; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inosital; ZINC100037751; AB0014290; MEGxp0_001817; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, myo-; ELND 005; 13719-EP2311831A1; cyclohexane-1,2,3,4,5,6-hexol; FT-0627237; AKOS015912905; KS-0000146H; (+)-Chiro-Inositol; AC1L1A9E; L-(-)-chiro-Inositol, 95%; (1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; 3635-EP2305636A1; C06151; 12513-EP2292597A1; myo-Inositol, purum, >=98.0% (HPLC); Inositol, scyllo-; MFCD00799555; 12513-EP2298768A1; NSC-25142; 1,2,3/4,5,6-cyclohexanehexol; MFCD00799556; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; ST24024704; Inositol, myo- (8CI); SCHEMBL13114115; GTPL4649; Bios I; M01914; ST50406013; NSC127230; FT-0632209; ZINC250615063; AC1Q2AJJ; SR-05000001655; Mesoinosite; Muscle sugar; ZINC102201844; 6917-35-7; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; 3635-EP2308879A1; Insitolum; D-myo-Inositol, Cell Culture Grade; I0630; Spectrum4_001193; epi-Cyclohexanehexol; SCHEMBL187796; NSC-45517; CDAISMWEOUEBRE-GPIVLXJGSA-N; 488-54-0; CC-093; 40032-EP2298312A1; ZINC1530357; 13719-EP2308875A1; CHEBI:27987; AN-24133; epi-Inositol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Pharmakon1600-01500352; CDAISMWEOUEBRE-GNIYUCBRSA-N; Tox21_111642; UNII-6R79WV4R10; 13719-EP2316836A1; SMR000857145; HMS2230N03; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; NCGC00159409-04; CHEBI:27372; CJ-05199; SCHEMBL6378921; AK115152; (1/4) inverted exclamation markIC; SCHEMBL491333; myo-Inositol, Vetec(TM) reagent grade, 99%; 3635-EP2275412A1; ELND005; NCGC00169828-01; I0632; EINECS 207-681-5; 3635-EP2295437A1; SCHEMBL14542470; MolPort-003-848-190; Muco-Inositol; D0Y4UQ; Epi-inositol, 98%; 1,2,3,4,5,6/0-cyclohexanetetrol; Mesovit; D-chiro-Inositol, >=98.0% (HPLC); TRA-0204644; 36190-90-6; NSC 25142; cis-Inositol; (1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; SCHEMBL12377889; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; L-Inositol; CHEBI:10642; 12513-EP2305825A1; Chiro-inositol, (-)-; Inositol, muco-; Quercinitol; M94176HJ2F; HY-B1411; SCHEMBL12711208; SCHEMBL13580047; CDAISMWEOUEBRE-CDRYSYESSA-N; scyllo-Cyclohexanehexol; ZINC101185827; Allo-inositol; Tox21_111642_1; HMS3373E05; 1,3,5/4,6-Cyclohexanehexol; EINECS 209-000-7; KS-1284; W-203168; 13719-EP2280010A2; Phaseomannite; EPIINOSITOL; (+)-Epi-Inositol; NSC45517; Inositol (NF); 6643AB; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; SCHEMBL4748543; AK307315; 13719-EP2269977A2; 488-58-4; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; cis-1,3,5-trans-4,6-Cyclohexanehexol; SCHEMBL13114128; SCHEMBL6468882; UNII-587A93P465; scyllo-Inositol, >=98%; SMR000857320; D-chiro Inositol; AZD 103; SCHEMBL188237; SCHEMBL12411898; bmse000113; epi-Inositol, >=98.0% (HPLC); MLS001335967; 19030-27-4; AK307406; INOSITOL (L); KBio2_007211; Cyclohexane-1,2,3,4,5,6-hexaol; 41546-34-3; (1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NSC8101; NSC-55551; 63GQX5QW03; (1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol; myo -Inositol; ZINC306121118; D08DXZ; ST24049158; AX8234329; Inositol, epi-; TRA0065469; 551-72-4; 488-59-5; NSC55551; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 3635-EP2298312A1; Myoinosite; HMS2235M23; NSC-55552; Inositol [Nonspecific isomer]; A836375; SR-05000001655-5; myo-Inositol, SAJ special grade, >=99.0%; 13719-EP2298734A2; D-chiro-Inositol; HMS2235H05; AN-18118; (1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; KBio3_001826; Inositol, meso-; ZINC103574467; AS-10616; CAS-87-89-8; Inositina; SCHEMBL959404; I0629; BG00909545; AmbotzGBB1246; EINECS 211-393-5; 1,3,5/2,4,6-cyclohexanehexol; EINECS 201-781-2; SCHEMBL5831; Meat sugar; neoinositol; 9O6Y5O4P9W; (-)-chiro-Inositol; 13719-EP2289891A2; AKOS015895894; 13719-EP2295437A1; (-)-Inositol; NSC55552; Cyclohexanehexol; Inosital (TN); Levoinositol; FT-0632208; BG01505583; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; TL8004550; L-chiro-Inositol; Myo inositol; Spectrum5_000961; (1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol; myo-inositol; (1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; MFCD00272608; MLS001332377; D08079; SCHEMBL12371461; meso-Inositol; D-myo-Inositol; Cyclohexitol; ZINC100018867; 1,2,3,4/5,6-cyclohexanehexol; D-(+)-chiro-Inositol, 95%; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; ACon1_002457; KBioGR_001885; NSC-8101; TR-019452; FT-0670357; AKOS015994742; ZINC100032893; NSC757076; CS-4782; allo-Inositol, 97%; AN-23658; Mesoinosit; KS-00000QA9; AKOS027320475; KBio2_004643; ZINC103574475; UNII-4L6452S749; SCHEMBL5969; ZINC100055570; 1,3,5/2,4,6-Hexahydroxycyclohexane; KS-000017FC; 3635-EP2298775A1; bmse000901; FCH1118762; NCGC00159409-03; R1Y9F3N15A; I14-101844; myo-Inositol, for microbiology, >=99.0%; I0633; Dambose; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.; FT-0693444; 1-L-chiro-Inositol; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; SR-05000001655-1; SCHEMBL188106; L-(-)-chiro-Inositol; L-myo-Inositol; 1,2,3,4,5,6-Cyclohexanehexaol; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; ZINC100513675; 173524-45-3; 643C129; NSC-55558; CCG-36096; Mouse antialopecia factor; FT-0632730; NSC55558; 8LQ63P85IC; I0628; MolPort-006-111-433; NCI60_041778; CDAISMWEOUEBRE-NIPYSYMMSA-N; KBioSS_002075; C00137; CBU; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; UNII-R1Y9F3N15A; D0B1EY; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MolPort-003-933-930; 587A93P465; CHEBI:25492; NSC 404118; UNII-M94176HJ2F; MCULE-2727773046; J101.890F; HMS3369F20; SCHEMBL5832; UNII-8LQ63P85IC; 12513-EP2277881A1; UNII-4661D3JP8D; 53319-35-0; MLS001335968; 1,2,3,4,5,6-Cyclohexanehexol #; myo-Inositol, p.a., 98.0%; meso-(1/4) inverted exclamation mark (1/4); AC-11070; SCHEMBL959405; NCGC00178580-03; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; I06-1350; 1L-Chiro-inositol; SCHEMBL1055883; Nucite; LS-2350; RP24128; 1,2,3,4,5/6-cyclohexanehexol; GTPL4648; Epitope ID:144993; SCHEMBL12735687; AKOS006332036; Inositol NF 12; MFCD00003863; AK546883; 1,2,4/3,5,6-cyclohexanehexol; 13719-EP2298775A1; EINECS 230-024-9; W-202862; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NCGC00159409-02; 4661D3JP8D; 1L-myo-Inositol; Scyllo-inositol; C06152; Chiro-inositol, (+)-; Inositol, i-; CHEMBL1950780; 1,2,3,4,5,6-cyclohexanhexol; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); D-(+)-Chiro Inositol; SC-91157; KS-00001315; NP-010162; I14-47229; VC30505; 4CH-024633; KB-251247; MFCD00065455; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; CDAISMWEOUEBRE-UHFFFAOYSA-N; ZINC100024490; Inositol, allo-; AI3-16111; Ambap6917-35-7; HMS3369B06; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1,3,4,5,6-Cyclohexanehexol; inositol; W-202861; SCHEMBL187397; DSSTox_CID_3146; ZINC100035580; 40032-EP2311830A1; 12513-EP2298744A2; K-9876; INOSITOL, MESO; CHEBI:24848; bmse000103; TR-016439; SCHEMBL13207905; (+)-Inositol; CHEMBL122705;cocositol;D-myo-inositol |
C6H12O6 |
180.16 g/mol |
C1(C(C(C(C(C1O)O)O)O)O)O |
|
TCMBANKIN058060 |
gallic acid |
Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid |
C7H6O5 |
170.12 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
|
TCMBANKIN058075 |
delphinidin-3-glucoside |
delphinidin-3-glu-coside;Delphinidin 3-O-glucoside |
C21H21O12+ |
465.4 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
|
TCMBANKIN058081 |
Dilospan S |
1,3,5-Benzenetriol; P1178_SIGMA; ST5214381; 5-Benzenetriol; 79330_FLUKA; Floroglucinol [Czech]; CHEBI:16204; 108-73-6; c0026; 1,3,5-THB; NSC 1572; D00152; Phloroglucinol solution; Benzene-s-triol; WLN: QR CQ EQ; InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9; 3,5-Dihydroxyphenol; s-Trihydroxybenzene; C02183; sym-Trihydroxybenzene; CPD-16; 1,3,5-Trihydroxycyclohexatriene; AIDS017800; AIDS-017800; Phloroglucinol (JAN); ZINC00391883; Benzene, trihydroxy; BRN 1341907; P38005_ALDRICH; Benzene, 1,3,5-trihydroxy-; 1,3,5-Triol; NCGC00166270-01; Benzene-1,3,5-triol; Phloroglucine; Spasfon-Lyoc; Floroglucin [Czech]; EINECS 203-611-2; Phloroglucinol; 34611_RIEDEL; 5-Hydroxyresorcinol; 4-06-00-07361 (Beilstein Handbook Reference); NSC1572; 5-Oxyresorcinol; P3502_SIAL; AI3-08848; Dilospan S (TN); CCRIS 4147; Phloroglucin; 1,3,5-Trihydroxybenzene; 5-Oxyresorcinolphloroglucin; phloroglucinol |
C6H6O3 |
126.11 |
C1=C(C=C(C=C1O)O)O |
|
TCMBANKIN058089 |
Norathyriol |
1,3,6,7-tetrahydroxy-9-xanthenone; DTXSID30188901; 1,3,6,7-Tetrahydroxyxanthen-9-one; SCHEMBL2418732; ACN-049134; NP-005102; AKOS028108772; norathyriol ; W2659; AIDS011168; 1,3,6,7-Tetrahydroxyxanthone; AIDS-011168; 3542-72-1; 1,3,6,7-Tetrahydroxyxanthonin; norathyriol; AC1NQYTS; MolPort-001-741-798; 58383-15-6; BG00966136; 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-; 1,3,6,7-Tetrahydroxy-xanthen-9-one; 4CN-2425; ZINC6090922; 2,4,6,7-Tetrahydroxyxanthone; CHEBI:7622; CHEMBL187265; BDBM50155447; C10086; NRA; 1,3,6,7-Tetrahydroxyxantone; 1,3,6,7-TETRAHYDROXY-9H-XANTHEN-9-ONE; MCULE-4986517729; 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-; 1,3,6,7-tetrahydroxyxanthone |
C13H8O6 |
260.2 |
C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O |
|
TCMBANKIN058092 |
desacetyl asperulosidic acid |
deacetylasperulosidic acid;deacetyl asperulosidic acid; deacetyl asperulosidicacid; deacetyl asperulosidic acid methyl ester |
C16H22O11 |
390.34 |
C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
|
TCMBANKIN058093 |
Sumiki's acid |
5-methylol-2-furoic acid; 5-(hydroxymethyl)furan-2-carboxylic acid; 2-Furoic acid, 5-(hydroxymethyl)-; 5-Hydroxymethyl-furan-2-carboxylic acid; 6338-41-6; NSC 40739; 2-Furancarboxylic acid, 5-(hydroxymethyl)- (9CI); 5-Hydroxymethyl-2-furoic acid; 2-Furoic acid, 5-(hydroxymethyl)- (8CI); 5-(hydroxymethyl)-2-furancarboxylic acid; ST5227816; BAS 00404252; 5-Hydroxymethyl-2-furancarboxylic acid; EC-000.1550; NSC40739; 2-Furancarboxylic acid, 5-(hydroxymethyl)-; InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9; 5-(Hydroxymethyl)-2-furoic acid; Oprea1_060549; NCGC00091546-01; Oprea1_518608; 5-hydroxymethyl-2-Furancarboxylic acid; |
C6H6O4 |
142.11 |
C1=C(OC(=C1)C(=O)O)CO |
|
TCMBANKIN058094 |
5-HMF |
5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) |
C6H6O3 |
126.11 g/mol |
C1=C(OC(=C1)C=O)CO |
|
TCMBANKIN058096 |
chelidonicacid |
AC1NF5P1; 4-oxopyran-2,6-dicarboxylate; I04-10436; CJ-00939; chelidonate; ZB004336; chelidonic acid;Jerva acid;5-18-08-00646 (Beilstein Handbook Reference); AI3-19253; Chelidonic acid; 382272_ALDRICH; 4-Oxo-1,4-pyran-2,6-dicarboxylic acid; TimTec1_001281; gamma-Pyrone-2,6-dicarboxylic acid; SBB000242; Compound xi*; 99-32-1; Compound XI* (Cherry and Hageman); Jervaic acid; NSC3979; 22500_FLUKA; EINECS 202-749-0; C08476; BRN 0163607; 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-; Jervasic acid; .gamma.-Pyrone-2,6-dicarboxylic acid; 4-ketopyran-2,6-dicarboxylic acid; 2,6-Dicarboxyl-4-pyrone; 4-oxopyran-2,6-dicarboxylic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid; WLN: T6O DVJ BVQ FVQ; AIDS009896; NSC 3979; AIDS-009896 |
C7H4O6 |
184.1 g/mol |
C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
|
TCMBANKIN058097 |
kojic acid;KOJ |
kojicacid;SMP1_000171; Spectrum2_001828; TNP00261; 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone; C14516; ACon1_000622; NINDS_000923; NCGC00017325-01; ZINC00031978; K3125_SIGMA; 5-18-02-00516 (Beilstein Handbook Reference); KBio2_000671; DivK1c_000923; NSC 1942; KBioGR_001002; KBio3_002508; Spectrum5_001085; SBB005397; Spectrum_000191; NCGC00142361-01; KBioSS_000671; 5-hydroxy-2-methylol-pyran-4-one; KBio2_005807; AIDS009875; Spectrum4_000571; AIDS-009875; AI3-02549; 5-Hydroxy-2-hydroxymethyl-4-pyrone; 5-Hydroxy-2-(hydroxymethyl)-4-pyrone; PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL); 123712-78-7; KBio2_003239; 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-; Spectrum3_001704; 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; EINECS 207-922-4; SPBio_001875; KBio1_000923; 5-hydroxy-2-(hydroxymethyl)pyran-4-one; CHEBI:43572; 5-hydroxy-2-(hydroxymethyl)-4-pyranone; Kojic acid; CCRIS 4131; NSC1942; WLN: T6O DVJ B1Q EQ; BRN 0120895; nchembio.78-comp13; 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one; 2-Hydroxymethyl-5-hydroxy-gamma-pyrone; IDI1_000923; MEGxm0_000388; Oprea1_038773; 60890_FLUKA; 501-30-4; BSPBio_003288 |
C6H6O4 |
142.11 g/mol |
C1=C(OC=C(C1=O)O)CO |
|
TCMBANKIN058101 |
mangiferin |
Chinoinin; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone; AIDS-073319; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one; (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol; C10077; 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone; 4773-96-0; BCBcMAP01_000240; AIDS073319; M3547_SIGMA; 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one; SMP1_000290; 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one; Mangiferin; Mangiferin Mangifera indica bark; CHEBI:6682 |
C19H18O11 |
422.34 |
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN058103 |
2,6-dihydroxybenzoicacid |
GRE; NSC49172; 4-10-00-01456 (Beilstein Handbook Reference); .gamma.-Resorcylic acid; 2,6-Dihydroxybenzoic acid; 303-07-1; D109606_ALDRICH; Benzoic acid, 2,6-dihydroxy-; BB_SC-2393; BRN 2209755; gamma-Resorcylic acid (8CI); 2,6-Resorcylic acid; gamma-Resorcylic acid; InChI=1/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11; EINECS 206-134-8; 2-Carboxyresorcinol; BENZOIC ACID,2,6-DIHYDROXY MFC7 H6 O4; NSC 49172; 6-Hydroxysalicylic acid |
C7H6O4 |
154.12 g/mol |
C1=CC(=C(C(=C1)O)C(=O)O)O |
|
TCMBANKIN058108 |
2',3',5,7-tetrahydroxyflavone |
4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromone; 74805-70-2; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;5,7,2',3'-tetrahydroxyflavone;5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 4H-1-Benzopyran-4-one,2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; AKOS030553571; 74805-70-2; LMPK12110137; SCHEMBL9148162; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; DTXSID60225777; CTK5E0539; AK583616; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 2',3',5,7-tetrahydroxyflavone; AC1NT0WV |
C15H10O6 |
286.24g/mol |
C1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058109 |
Pyrogallic acid |
PYG;1,2,3-Benzenetriol; Benzene, 1,2,3-trihydroxy-; 1,2,3-Trihydroxybenzene; BRN 0907431; Pyro; Piral; AIDS-002956; Fouramine Brown AP; ZINC00330141; P0381_SIGMA; 1,2,3-TRIHYDROXY-BENZENE; SMR000471842; 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; WLN: QR BQ CQ; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; CI Oxidation Base 32; AIDS082397; Pyrogallol polymer; AIDS-082397; CCRIS 1940; Fourrine 85; C.I. 76515; fouramine base ap; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9; AIDS002956; Pyrogallic acid; C.I. Oxidation Base 32; AI3-00709; C01108; 254002_SIAL; Pyrogallol solution; CI 76515; HSDB 794; 87-66-1; CHEBI:16164; 83135_FLUKA; GMN; MLS001066376; Pyrogallol; C.I. Oxidation Base 32; 16040_RIEDEL; PYROP; Fourrine PG; 4-06-00-07327 (Beilstein Handbook Reference); BENZENE-1,2,3-TRIOL; NCGC00091507-01; AB-131/40221933; NSC5035; EINECS 201-762-9; c0025; NSC 5035;pyrogallol;Gallic phenol |
C6H6O3 |
126.11 g/mol |
C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
|
TCMBANKIN058124 |
protocatechualdehyde |
UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 |
C7H6O3 |
138.12 |
C1=CC(=C(C=C1C=O)O)O |
|
TCMBANKIN058126 |
chrysanthemin |
cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside; cyanidin 3-o-glucoside; cyanidin-3-O-glucoside |
C28H58O |
410.76 |
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
|
TCMBANKIN058129 |
quercetin-3-O-β-D-glucuronide |
Quercetin-3-o-β-D- glucuronide; quercetin-3-o-beta-d-glucuronide; Quercetin 3-O-glucuronide; quercetin-3-o-glucuronide |
C21H18O13 |
478.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
|
TCMBANKIN058130 |
quercetin-３-Ｏ-galactoside |
hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside |
C21H19O12- |
463.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
|
TCMBANKIN058135 |
Polystachoside |
quercetin-3-xyloside;4H-1-Benzopyran-4-one, 3-(alpha-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 572-30-5; Avicularin; 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 3-(.alpha.-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 158560-11-3; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4dihydroxyphenyl)-5;hydroxy-7;methoxy;chromen-4;one;Polystachoside;avicularin;aricularin;3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; polystachoside; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 3-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone |
C20H18O11 |
434.35 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN058145 |
cinaroside |
Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside |
C21H20O11 |
448.4 g/mol |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
|
TCMBANKIN058153 |
Fustin |
20725-03-5; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one; 2,3-Dihydrofisetin; C01378; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-4-one; fustin; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-chromanone; trans-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4-benzopyrone; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-4-one; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, trans- (9CI); EINECS 243-989-6; NSC 59264; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-chromanone; (+)-fustin;Flavanone, 3,3',4',7-tetrahydroxy- (VAN) (8CI) |
C15H12O6 |
288.25 g/mol |
C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O |
|
TCMBANKIN058156 |
dopa |
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphate (sodium salt); SODIUM (2R)-1-(HYDROGEN PHOSPHONATOOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE; SCHEMBL940484; 1,2-Dioleoyl-sn-glycero-3-phosphoric acid monosodium salt, >=98% (TLC); sodium (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate; DTXSID1039686; 116004-31-0; 1,2-dioleoyl-sn-glycero-3-phosphate (sodium salt); 18:1 PA; 1-O,2-O-Dioleoyl-L-glycerin-3-phosphoric acid sodium salt;NCGC00093869-04; Alanine, 3-(3,4-dihydroxyphenyl)-, D- (8CI); NCGC00093869-03; D-Tyrosine, 3-hydroxy- (9CI); 3-(3,4-Dihydroxyphenyl)-D-alanine; 37840_FLUKA; D-3-Hydroxytyrosine; NSC 118368; (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid; EINECS 227-343-0; 3-Hydroxy-D-tyrosine; D9378_SIGMA;Dopa D-form |
C9H11NO4 |
197.19 g/mol |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O |
|
TCMBANKIN058157 |
salvianic acid a;danshensu |
MolPort-027-836-277; W-203757; DS-182; SCHEMBL18469325; AN-8468; CHEBI:71572; KS-00000R2J; UNII-NA8H56YM3K component PAFLSMZLRSPALU-MRVPVSSYSA-N; ACN-035342; AKOS006328573; 3,4-dihydroxyphenyllactic acid; Danshensu; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid; AK119798; HY-N1913; SC-96866; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid; Benzenepropanoic acid, alpha,3,4-trihydroxy-, (alphaR)-; AC-7985; AJ-24202; Salianic acid A; BC251342; Salvianic acid A; (R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid; BG01512207; s4741; (2R)-3-(3,4-dihydroxyphenyl)lactic acid; I14-53224; MFCD09038703; DTXSID60469215; FCH869720; FT-0696736; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propionic acid; ZINC895535; Dan shen suan A; 76822-21-4; CS-5614; danshensu ; r-(+)-beta-(3,4-dihydroxyphenyl)-lactic acid; UNII-4GF33A5PAJ; 4GF33A5PAJ |
C9H10O5 |
198.17 g/mol |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
|
TCMBANKIN058161 |
3, 4-dihydroxybenzenepropionic acid |
3-(3,4-dihydroxyphenyl)propanoicacid;HYKOP |
C9H10O4 |
182.17 g/mol |
C1=CC(=C(C=C1CCC(=O)O)O)O |
|
TCMBANKIN058163 |
hydroxytyrosol |
AIDS470832; 10597-60-1; beta-3,4-Dihydroxyphenylethyl alcohol; 4-(2-hydroxyethyl)pyrocatechol; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 3,4-Dihydroxyphenylethanol; 2-(3,4-Dihydroxyphenyl)ethanol; dopet; AIDS-470832; 4-(2-hydroxyethyl)benzene-1,2-diol; Hydroxytyrosol; ST5437419; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol |
C8H10O3 |
154.16 g/mol |
C1=CC(=C(C=C1CCO)O)O |
|
TCMBANKIN058166 |
plantagoside a |
plantainoside A |
C23H26O11 |
478.4 g/mol |
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O |
|
TCMBANKIN058167 |
desrhamnosylacteoside |
Calceolarioside A;[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; MEGxp0_000507; [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; AIDS-224551; AIDS224551; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester; ACon1_000369; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-; (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester; 84744-28-5; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)- |
C23H26O11 |
478.45 |
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O |
|
TCMBANKIN058168 |
Calceolarioside B |
calceolarioside B; MEGxp0_000508; (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester; [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; AIDS224552; [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; AIDS-224552; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester; ACon1_000407; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-; [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxy-oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;desrhamnosyl isoacteoside |
C23H26O11 |
478.45 |
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)O |
|
TCMBANKIN058169 |
Original tea acid |
rose acids; Lemon Su; lemongrass acid |
C12H7Cl3O2 |
|
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl |
|
TCMBANKIN058171 |
GENOP |
BRN 2209119; NCIOpen2_000913; BSPBio_003051; Gentisinic acid polymer; BENZOIC ACID,2,5-DIHYDROXY; AIDS-002955; Salicylic acid, 5-hydroxy-; Spectrum4_001821; 4955-90-2 (SODIUM SALT); KBio1_000538; C00628; KBio2_001721; 5-Hydroxysalicylic acid; Resorcyllic acid, alphaodium 2,5-dihydroxybenzoate; SPBio_000846; KBioSS_001721; Spectrum2_000773; Kyselina gentisinova [Czech]; 39319_FLUKA; 2,5-Dioxybenzoic acid; 2,5-Dhba; Gensigen; 490-79-9; KBioGR_002487; KBio3_002271; 4-10-00-01441 (Beilstein Handbook Reference); Spectrum3_001326; Benzoic acid, 2,5-dihydroxy-; Acidum gentisicum [INN-Latin]; Gentisate; Acido gentisico [INN-Spanish]; Spectrum5_000581; Gentisinic acid; Spectrum_001241; 2,5-Dihydroxybenzoic acid; Kyselina 2,5-dihydroxybenzoova [Czech]; IVK/9045696; NSC27224; KBio2_004289; Acide gentisique [INN-French]; Gentisic acid; DivK1c_000538; NSC8512 (SODIUM SALT); AIDS027706; NSC 27224; AIDS-027706; Gensigon; EINECS 207-718-5; Hydroquinonecarboxylic acid; CHEBI:17189; AI3-60431; WLN: QVR BQ EQ; 149357_ALDRICH; IDI1_000538; AIDS002955; Acido 2,5-diidrossibenzoico [Italian]; Oprea1_039290; NINDS_000538; InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11; KBio2_006857; NSC49098; 2,5-dihydroxy benzoic acid; 2,5-dihydroxybenzoic acid; 2,5-dihydroxy-benzoic acid; gentisicacid; 2, 5-dihydroxybenzoic acid; gentisic acid |
C7H6O4 |
154.12g/mol |
C1=CC(=C(C=C1O)C(=O)O)O |
|
TCMBANKIN058172 |
OMD |
2-(2,5-dihydroxyphenyl)acetic acid; 53560_FLUKA; NSC88940; CHEBI:44747; ST5406743; 2-(2,5-dihydroxyphenyl)ethanoic acid; Homogentisinic acid; Benzeneacetic acid, 3,4-dihydroxy-, homopolymer; 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID; AIDS002960; AIDS-220865; 2,5-DHPOP; EINECS 207-192-7; (2,5-Dihydroxyphenyl)acetic acid; H0751_SIGMA; BRN 2692860; InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12; 2,5-Dihydroxybenzeneacetic acid; 2,5-Dihydroxyphenylacetic acid polymer; NSC 88940; AIDS-002960; Acetic acid, (2,5-dihydroxyphenyl)-; 2,5-Dihydroxyphenylacetic acid; Alcapton; Benzeneacetic acid, 2,5-dihydroxy-; 451-13-8; 71694-00-3; C00544; 2,5-Dihydroxy-.alpha.-toluic acid; Homogentisate acid; Homogentisic acid; AIDS220865; 2,5-Dihydroxy-alpha-toluic acid; 4-10-00-01506 (Beilstein Handbook Reference); himigentisic acid |
C8H8O4 |
168.15 g/mol |
C1=CC(=C(C=C1O)CC(=O)O)O |
|
TCMBANKIN058173 |
DOB |
beta-Resorcylic acid; RESORCYLIC ACID, BETA; Benzoic acid, 2,4-dihydroxy-; STK299216; NSC4740; NSC 13564; 4-Carboxyresorcinol; D109401_ALDRICH; 4-Hydroxysalicylic acid; .beta.-Resorcinolic acid; 2,4-Dihydroxybenzoic acid; NSC13564; AIDS-018062; W379808_ALDRICH; 4-10-00-01420 (Beilstein Handbook Reference); InChI=1/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11; .beta.-Resorcylic acid; 89-86-1; BRA; AI3-24366; beta-Resorcinolic acid; 37530_FLUKA; 2,4-Dhba; EINECS 201-946-9; BRN 1946213; AIDS018062; Oprea1_259729; NCGC00090922-02; p-Hydroxysalicylic acid; NCGC00090922-01;β-resorcylicacid |
C7H6O4 |
154.12 g/mol |
C1=CC(=C(C=C1O)O)C(=O)O |
|
TCMBANKIN058180 |
naphthazarin |
5,8-dihydroxy-2,3-dihydronaphthalene-1,4-dione; A827266; SCHEMBL13568681; 1,4-Naphthalenedione, 2,3-dihydro-5,8-dihydroxy-; 5,8-bis(oxidanyl)-2,3-dihydronaphthalene-1,4-dione; 4988-51-6; 5,8-Dihydroxy-1,4-tetralindione; AKOS022505654; 5,8-dihydroxytetralin-1,4-dione; AJ-69959; DTXSID40450045; naphthazarin ; 2.3-Dihydro-naphthazarin; MCULE-8216200508; ZINC17111188; CTK1D0318; NSC344555; 1,4-Naphthalenedione, 5,8-dihydroxy-; AIDS-005214; 1,4-Naphthoquinone, 5,8-dihydroxy-; 5,8-Dihydroxy-1,4-naphthosemiquinone; Naphthazarin; 37790_FLUKA; InChI=1/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12; 388513_ALDRICH; 5,8-Dihydroxynaphthaquinone; ZINC00901191; 475-38-7; NSC 26647; 5,8-Dihydroxynaphthoquinone; C01938; Naphthazarone; NCI60_002143; 1,4-Naphthalenedione, 5,8-dihydroxy- (9CI); EINECS 207-495-4; AIDS005214; NSC26647; 5,8-dihydroxynaphthalene-1,4-dione; Dihydroxynaphthoquinone; 5,8-Dihydroxy-1,4-naphthalenedione; NAPTHAZARIN NPHZ; Naphthazarine; 5,8-Dihydroxy-1,4-naphthoquinone; CCRIS 6670; DHNQ |
C10H6O4 |
190.15 g/mol |
C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O |
|
TCMBANKIN058182 |
m-hydroxybenzaldehyde |
m-Formylphenol;3-hydroxybenzaldehyde;NSC 3504; CHEBI:16207; meta-Hydroxybenzaldehyde; 3-OH-BENZALDEHYDE; NSC3504; 3-HYDROXY-BENZALDEHYDE; ZINC00901630; Benzaldehyde, m-hydroxy-; BRN 0507099; 3-hydroxybenzaldehyde; Benzaldehyde, 3-hydroxy-; H19808_ALDRICH; ST5213351; 100-83-4; 4-08-00-00240 (Beilstein Handbook Reference); InChI=1/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9; EINECS 202-892-9; C03067; 3-Formylphenol; c0055; AI3-12120; m-Hydroxybenzaldehyde |
C7H6O2 |
122.12 g/mol |
C1=CC(=CC(=C1)O)C=O |
|
TCMBANKIN058188 |
PHB |
NSC4961; AE-848/32195059; AIDS-018038; AI3-01003; 4-Hydroxybenzoic acid; Benzoic acid, p-hydroxy-; ST5210584; 54630_FLUKA; C00156; 4-HBA; InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10; Acido p-idrossibenzoico [Italian]; HSDB 7233; 99-96-7; p-Salicylic acid; p-Oxybenzoesaure [German]; HYDROXYBENZOIC ACID, PARA; NSC 4961; Benzoic acid, p-hydroxy; EINECS 202-804-9; CHEBI:30763; p-Hydroxybenzoic acid; H20059_ALDRICH; 240141_ALDRICH; NCGC00166040-01; Kyselina 4-hydroxybenzoova [Czech]; 4-Carboxyphenol; Benzoic acid, 4-hydroxy; W398608_ALDRICH; 4-Hydroxybenzoesaeure; Benzoic acid, 4-hydroxy-; AIDS018038; WLN: QVR DQ; 4-hydroxybenzoic; 4-hydroxy benzoic acid |
C7H6O3 |
138.12 g/mol |
C1=CC(=CC=C1C(=O)O)O |
|
TCMBANKIN058192 |
isoliquiritigenin |
HCC; KBio2_000625; SPBio_000949; Spectrum2_000875; 961-29-5; 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-; SPECTRUM1504200; Chalcone, 2',4,4'-trihydroxy-; CHEMBL1395334; KBio3_002631; NCGC00015556-01; SDCCGMLS-0066751.P001; ST5309279; (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; KBio2_003193; InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; CMLD3_000056; BSPBio_003411; C08650; CCRIS 7676; 2',4,4'-Trihydroxychalcone; Lopac0_000681; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; I159_SIGMA; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; Lopac-I-3766; CPD-3041; KBio1_001802; MEGxp0_001326; ZINC3869607; BRN 1914295; MLS000438943; SMR000112969; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; ACon1_000047; GU 17; KBioGR_002232; DivK1c_006858; KBio2_005761; 1-08-00-00707 (Beilstein Handbook Reference); 4,2′,4′-Trihydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; NCGC00090504-01; (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; EU-0100681; Spectrum3_001656; AC1O7G44; 4,2',4'-Trihydroxychalcone; EINECS 237-316-5; I3766_SIGMA; AIDS035379; AIDS-035379; 13745-20-5; Spectrum5_000612; 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-; Spectrum_000145; KBioSS_000625; Isoliquiritigenin; Spectrum4_001756; 42'4'-trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; NCGC00090504-03; SpecPlus_000762; 2',4',4-trihydroxychalcone |
C15H12O4 |
256.25 g/mol |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
TCMBANKIN058210 |
WLN: VHR DVH |
p-Formylbenzaldehyde; p-Phthalaldehyde; Terephthaladehyde (8CI); Terephthalaldehyde; Terephtaldehydes [French]; p-Benzenedicarboxaldehyde; NSC13395; 1,4-Benzenedicarboxaldehyde; T2207_SIAL; Terephtaldehydes [French]; ZINC01729595; Terephtaldehyde; Benzene-1,4-dicarboxaldehyde; NSC 13395; Terephthaldicarboxaldehyde; InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6; 1,4-Diformylbenzene; Terephthaladehyde; EINECS 210-784-8; Terephthaldehyde; 4-Formylbenzaldehyde; 86410_FLUKA; SBB012343; Terephthaldialdehyde; 1,4-DICARBOXALDEHYDE-BENZENE; 623-27-8; Terephthalic aldehyde; Terephtaldehydes; 5'-caffeoylquinic-acid; neochlorogenic acid; 5'-caffeoylquinic acid; terephthaldehyde |
C8H6O2 |
134.13 |
C1=CC(=CC=C1C=O)C=O |
|
TCMBANKIN058211 |
p-aminobenzaldehyde |
WLN: ZR DVH;Benzaldehyde, 4-amino-; BRN 1362885; 4-14-00-00048 (Beilstein Handbook Reference); ZINC01677280; 4-Aminobenzaldehyde; NSC60117; Benzaldehyde, p-amino- (8CI); p-Formylaniline; p-Aminobenzaldehyde; InChI=1/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H; 4-Formylaniline; NSC45163; Benzaldehyde, p-amino-; Benzaldehyde, 4-amino-, homopolymer; 556-18-3; 28107-09-7; NSC 45163; EINECS 209-115-2 |
C7H7NO |
121.14 g/mol |
C1=CC(=CC=C1C=O)N |
|
TCMBANKIN058212 |
4-hydroxybenzaldehyde;HBA |
4-hydroxybenzal-dehyde; 4-hydroxy-benzaldehyde;54590_FLUKA; p-Oxybenzaldehyde; ST5213381; 123-08-0; p-Hydroxybenzaldehyde; FR-0985; 65581-83-1; AIDS-017917; InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9; 4-HYDROXY-BENZALDEHYDE; ZINC00156709; BRN 0471352; Benzaldehyde, 4-hydroxy-, homopolymer; 4-08-00-00251 (Beilstein Handbook Reference); CHEBI:17597; NSC 2127; 4-Formylphenol; Benzaldehyde, p-hydroxy-; Usaf m-6; AIDS017917; 4-HYDROXYBENZALDEHYDE; 54589_FLUKA; AI3-15366; Benzaldehyde, 4-hydroxy-; Parahydroxybenzaldehyde; C00633; AB-131/40191192; p-Formylphenol; c0285; NSC2127; WLN: VHR DQ; W398403_ALDRICH; 4-Hydroxybenzaldehyde, homopolymer; EINECS 204-599-1; 144088_ALDRICH |
C7H6O2 |
122.12 |
C1=CC(=CC=C1C=O)O |
|
TCMBANKIN058213 |
kaemferol;kampferol;kaempferol;campherol |
TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN058215 |
kaempferol-3-o-beta-d-glucoside |
kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside |
C21H20O11 |
448.38 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN058221 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN058226 |
scutellarein |
ZINC00899075; AC-11200; ST50331621; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Isocarthamidin; AN-45602; MFCD00017692; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromone; 6-Hydroxyapigenin; N2093; P460GTI853; 5,6,7,4'-Tetrahydroxyflavone; 4',5,6,7-Tetrahydroxyflavanone; AK198746; 6-Hydroxyapigenin;4,5,6,7-Tetrahydroxyflavone; C10184; 529-53-3; AC1NQYX1; Scutellarein, >=98% (HPLC); AKOS015960467; UNII-P460GTI853; Scutellarein; AIDS000486; D00LMG; DTXSID40200946;4',5,6,7-tetrahydroxyflavanone; HY-N0752; SCHEMBL142093; LMPK12111160; SC-65770; BG01578503; BDBM23411; A829325; scutellarein ; SCUTELLARTLN; Y0183; Q-100602; FT-0674545; AS-19541; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; AIDS-000486; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CHEBI:9062; ZINC5842416; MolPort-003-724-680; AB0035788; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; Flavonoid; API0004145; JVXZRQGOGOXCEC-UHFFFAOYSA-N; KS-00000HCF; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; 2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one; LS-39816; 529S533; ST5331621; 4',5,6,7-tetrahydroxyflavone; CHEMBL55415; 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CS-5596 |
C15H10O6 |
286.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O |
|
TCMBANKIN058241 |
tyrosin;DTY |
Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-; HSDB 2003; AIDS192306; L-Phenylalanine-4-hydroxy-; EINECS 200-460-4; 4-Hydroxy-L-phenylalanine; Tyrosine (VAN); alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-; AI3-09055; beta-(p-Hydroxyphenyl)alanine; nchembio816-comp11; AIDS192301; AIDS192308; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; CHEBI:17895; AIDS-192301; TYR NH3+ COOH; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours; (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; Tyrosinum [Latin]; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; AIDS-192307; 25619-78-7; L-Tyrosine (9CI); 1991-85-1; L-Tyrosine, homopolymer; AIDS018692; (S)-alpha-Amino-4-hydroxybenzenepropanoic acid; L-Tyrosin; 55520-40-6; Tirosina [Spanish]; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; alpha-Amino-beta-(4-hydroxyphenyl)propionic acid; BB_NC-1194; D00022; C00082; Tyrosine, L- (8CI); Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction; Tyrosine [USAN:INN]; T3754_SIAL; 140-43-2; NCGC00159350-03; T8566_SIGMA; AIDS-192305; AIDS-018692; 2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-; AIDS-192308; AIDS-192306; 2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-; 93829_FLUKA; alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-; (S)-Tyrosine; T4321_SIAL; L-Tyrosine, monomer; L-Tyrosine (JAN); Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-; NCGC00159350-02; AIDS192305; W373605_ALDRICH; 46209-14-7; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide; Tyrosine (USP/INN); FEMA No. 3736; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs; NSC 82624; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide; AIDS192307; (S)-3-(p-Hydroxyphenyl)alanine |
C9H11NO3 |
181.19 g/mol |
C1=CC(=CC=C1CC(C(=O)O)N)O |
|
TCMBANKIN058252 |
tyramine |
AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium |
C8H11NO |
137.18 |
C1=CC(=CC=C1CCN)O |
|
TCMBANKIN058255 |
Tyrosol |
NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol |
C8H10O2 |
138.16 g/mol |
C1=CC(=CC=C1CCO)O |
|
TCMBANKIN058259 |
p-aminophenol;para-aminophenol |
4-AMINO-PHENOL; Tox21_113477; SBB059792; para aminophenol; Fourrine 84; AS04549; 9225-EP2275420A1; DSSTox_GSID_24499; 4-Aminophenol (Acetaminophen Related Compound K) (Paracetamol Impurity K), Pharmaceutical Secondary Standard; Certified Reference Material; Certinal; AKOS000119829; p-Aminofenol; 4-Aminophenol, >=99% (HPLC); AN-24398; CJ-12175; BDBM26195; ST088538; J-004908; FT-0617593; A0384; Benzofur P; Aminophenol, p-; NSC-1545; BB_SC-6973; AKOS016371265; AK-46590; KB-189354; CCRIS 4146; to_000006; BASF Ursol P Base; DSSTox_CID_4499; Tox21_201030; 4NL; ACMC-209aoj; SCHEMBL3424; Para-aminophenol; 4-amino phenol; p-aminobenzenol; Tertral P Base; CI 76550; Acetaminophen Impurity K; BG00599911; 4-aminophenol; 9225-EP2280008A2; p-Aminophenol [UN2512] [Poison]; bmse000462; Phenol, p-amino-; para-hydroxyaniline; AC1Q523U; 4-aminophenol?; Pelagol CP (Salt/Mix); 1-Amino-4-hydroxybenzene; AB1009438; TRA0083709; para-amino-phenol; Phenol, 4-amino-; NCGC00090816-05; 9225-EP2308872A1; Epitope ID:117708; Pelagol Grey CP (Salt/Mix); Ursol P; UNII-R7P8FRP05V; AM86423; NCGC00090816-02; Pelagol Grey P Base; CAS-123-30-8; SGCUT00256; Tox21_113477_1; HSDB 2640; R7P8FRP05V; AJ-333/25022099; Nako Brown R; p-Aminophenol [UN2512] [Poison]; Zoba Brown P Base; AI3-14872; 9225-EP2316829A1; Kodelon; 63084-98-0 (sulfate [2:1]); ST2405553; TR-003672; Takatol; ANW-18113; Rodinal; F2190-0438; NCGC00090816-01; Tox21_113242; J-514454; BBL011574; NCGC00090816-03; 4-hydroxy-aniline; C.I. 76550; 135807-EP2371803A1; PubChem22199; MFCD00007869; 4-Aminophenol, PESTANAL(R), analytical standard; 4-aminobenzenol; phenol derivative, 9; C.I. Oxidation Base 6A; C.I. Oxidation Base 6; PLIKAWJENQZMHA-UHFFFAOYSA-N; Durafur Brown R (Salt/Mix); paraaminophenol; 51-78-5 (hydrochloride); Pelagol P Base; Energol; 4-hydroxyphenylamine; SC-19013; 4-Aminophenol, >=98%; Furro P (Salt/Mix); Fouramine P; p-amino-phenol; Futramine P (Salt/Mix); Paramidophenol; 4-Aminophenol, technical grade, 95%; UN 2512; AC1Q523T; KB-79942; p-hydroxyaniline; AN-22912; Phenol,4-amino-; NSC1545; 4-hydroxyaniline; RP18925; 123-30-8; p-Aminofenol [Czech]; Z57127517; 4-Aminophenol, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL; CHEMBL1142; L-1224; AJ-51764; MLS001066356; Durafur Brown RB; I01-0483; NCGC00258583-01; Fourrine P Base; CS-0006652; LS-676; STK286017; 135807-EP2377843A1; MCULE-3319647085; Para Amino Phenol; I924; KS-000000HN; WLN: ZR DQ; Citol; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; NSC 1545; Ursol P Base; MolPort-001-641-054; Furro P Base; ZINC4623758; 4-Amino-1-hydroxybenzene; AC1L195P; Azol; p-Hydroxyphenylamine; Renal AC; UNAL; DTXSID3024499; C02372; KSC354Q5H; 4-Aminophenol, United States Pharmacopeia (USP) Reference Standard; SMR000471841; Peltol P (Salt/Mix); NCGC00090816-04; 52985-09-8; DSSTox_RID_77429; BC227837; Paranol; D07MTM; UNII-LST7140D72 component PLIKAWJENQZMHA-UHFFFAOYSA-N; EINECS 204-616-2; Mesalazine impurity A, European Pharmacopoeia (EP) Reference Standard; EC 204-616-2; CHEBI:17602;4-aminophenol; 4-AMINO-PHENOL; ZINC04623758; 35837_RIEDEL; Durafur Brown RB; Phenol, p-amino-; C.I. 76550; Fourrine P Base; AIDS019902; STK286017; A71328_ALDRICH; 1-Amino-4-hydroxybenzene; CPD-259; Fourrine 84; 4-aminobenzenol; WLN: ZR DQ; c0090; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; C.I. Oxidation Base 6; p-aminophenol; Citol; NSC 1545; Ursol P Base; Certinal; Pelagol P Base; Furro P Base; Phenol, 4-amino-; p-Aminofenol; Fouramine P; Ursol P; 4-Amino-1-hydroxybenzene; Pelagol Grey P Base; CI 76550; p-Hydroxyphenylamine; Azol; Benzofur P; SGCUT00256; Aminophenol, p-; Renal AC; HSDB 2640; AJ-333/25022099; C02372; CCRIS 4146; to_000006; p-hydroxyaniline; p-Aminophenol [UN2512] [Poison]; SMR000471841; BASF Ursol P Base; Nako Brown R; NSC1545; 60034_RIEDEL; 4-hydroxyaniline; Zoba Brown P Base; 123-30-8; 4NL; p-Aminofenol [Czech]; AI3-14872; 52985-09-8; AIDS-019902; Paranol; p-aminobenzenol; Tertral P Base; EINECS 204-616-2; Rodinal; CHEBI:17602; MLS001066356; 51-78-5 (HCL); NCGC00090816-01;4-AMINO-PHENOL; Tox21_113477; SBB059792; para aminophenol; Fourrine 84; AS04549; 9225-EP2275420A1; DSSTox_GSID_24499; p-aminophenol; 4-Aminophenol (Acetaminophen Related Compound K) (Paracetamol Impurity K), Pharmaceutical Secondary Standard; Certified Reference Material; Certinal; AKOS000119829; p-Aminofenol; 4-Aminophenol, >=99% (HPLC); AN-24398; CJ-12175; BDBM26195; ST088538; J-004908; FT-0617593; A0384; Benzofur P; Aminophenol, p-; NSC-1545; BB_SC-6973; AKOS016371265; AK-46590; KB-189354; CCRIS 4146; to_000006; BASF Ursol P Base; DSSTox_CID_4499; Tox21_201030; 4NL; ACMC-209aoj; SCHEMBL3424; Para-aminophenol; 4-amino phenol; p-aminobenzenol; Tertral P Base; CI 76550; Acetaminophen Impurity K; BG00599911; 4-aminophenol; 9225-EP2280008A2; p-Aminophenol [UN2512] [Poison]; bmse000462; Phenol, p-amino-; para-hydroxyaniline; AC1Q523U; 4-aminophenol?; Pelagol CP (Salt/Mix); 1-Amino-4-hydroxybenzene; AB1009438; TRA0083709; para-amino-phenol; Phenol, 4-amino-; NCGC00090816-05; 9225-EP2308872A1; Epitope ID:117708; Pelagol Grey CP (Salt/Mix); Ursol P; UNII-R7P8FRP05V; AM86423; NCGC00090816-02; Pelagol Grey P Base; CAS-123-30-8; SGCUT00256; Tox21_113477_1; HSDB 2640; R7P8FRP05V; AJ-333/25022099; Nako Brown R; p-Aminophenol [UN2512] [Poison]; Zoba Brown P Base; AI3-14872; 9225-EP2316829A1; Kodelon; 63084-98-0 (sulfate [2:1]); ST2405553; TR-003672; Takatol; ANW-18113; Rodinal; F2190-0438; NCGC00090816-01; Tox21_113242; J-514454; BBL011574; NCGC00090816-03; 4-hydroxy-aniline; C.I. 76550; 135807-EP2371803A1; PubChem22199; MFCD00007869; 4-Aminophenol, PESTANAL(R), analytical standard; 4-aminobenzenol; phenol derivative, 9; C.I. Oxidation Base 6A; C.I. Oxidation Base 6; PLIKAWJENQZMHA-UHFFFAOYSA-N; Durafur Brown R (Salt/Mix); paraaminophenol; 51-78-5 (hydrochloride); Pelagol P Base; Energol; 4-hydroxyphenylamine; SC-19013; 4-Aminophenol, >=98%; Furro P (Salt/Mix); Fouramine P; p-amino-phenol; Futramine P (Salt/Mix); Paramidophenol; 4-Aminophenol, technical grade, 95%; UN 2512; AC1Q523T; KB-79942; p-hydroxyaniline; AN-22912; Phenol,4-amino-; NSC1545; 4-hydroxyaniline; RP18925; 123-30-8; p-Aminofenol [Czech]; Z57127517; 4-Aminophenol, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL; CHEMBL1142; L-1224; AJ-51764; MLS001066356; Durafur Brown RB; I01-0483; NCGC00258583-01; Fourrine P Base; CS-0006652; LS-676; STK286017; 135807-EP2377843A1; MCULE-3319647085; Para Amino Phenol; I924; KS-000000HN; WLN: ZR DQ; Citol; InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H; NSC 1545; Ursol P Base; MolPort-001-641-054; Furro P Base; ZINC4623758; 4-Amino-1-hydroxybenzene; AC1L195P; Azol; p-Hydroxyphenylamine; Renal AC; UNAL; DTXSID3024499; C02372; KSC354Q5H; 4-Aminophenol, United States Pharmacopeia (USP) Reference Standard; SMR000471841; Peltol P (Salt/Mix); NCGC00090816-04; 52985-09-8; DSSTox_RID_77429; BC227837; Paranol; D07MTM; UNII-LST7140D72 component PLIKAWJENQZMHA-UHFFFAOYSA-N; EINECS 204-616-2; Mesalazine impurity A, European Pharmacopoeia (EP) Reference Standard; EC 204-616-2; CHEBI:17602;p-aminophenol;para-aminophenol |
C6H7NO |
109.13 g/mol |
C1=CC(=CC=C1N)O |
|
TCMBANKIN058260 |
sulfanilicacid |
BR-53425; 22484-64-6 (zinc[2:1] salt); TR-034638; 121-57-3; NCGC00090886-02; AN-22849; 4-Sulfanilic acid; Nizin; I05-0157; CHEBI:27500; BC204845; Benzenesulfonic acid, 4-amino-; Sulfanilic acid, United States Pharmacopeia (USP) Reference Standard; 4-Aminobenzenesulfonic acid; SBB028140; Sulfanilic acid, JIS special grade, 99.0-100.5%; AS01575; AC1L1R31; 4-aminobenzene-sulfonic acid; 4-aminobenzene-1-sulfonic acid; Sulfanilic acid, ACS reagent, 99%; EINECS 204-482-5; Sulphanilic acid; p-Aminophenylsulfonic acid; 4-Aminobenzenesulfonic acid; Aniline-4-sulfonic acid; 4-aminophenylsulfonic acid; Sulfanilsaeure; ACMC-1BOZB; ST4084010; M-6005; AB1003505; SULFANILIC ACID TS; 856062-06-1; 434Z8C2635; Benzenesulphonic acid, 4-amino-; Sulfanilic acid, 99%; BBL011603; ANILINE P-SULFONIC ACID; Kyselina sulfanilova [Czech]; Epitope ID:122241; ANW-17754; InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10; KS-00000V3R; SULFANILIC ACID, ACS; Nitrate Reagent B, for microbiology; Sulfanilic Acid Anhydrous; 1-aminobenzene-4-sulfonic acid; NSC 7170; ZINC1530397; EC 204-482-5; Sulfanilate Zinc (sulfanilic acid); C06335; 4-Aminobenzenesulphonic Acid (Sulphanilic Acid); Kyselina sulfanilova; RP23551; H459; SC-26832; AC1Q51Y7; PubChem20323; KSC175E5L; 28029-EP2314588A1; BDBM50443531; 515-74-2 (hydrochloride salt); Aniline-4-sulfonic acid; Sulfanilic acid, >=99.0%; p-aminobenzene sulfonic acid; Aniline-p-sulfonic acid; UNII-434Z8C2635; SULFANILLIC ACID; LS-650; p-sulphanilic acid; KB-36490; A3126/0132260; SUFANILIC ACID; ST2411105; J-004536; NSC7170; SCHEMBL24407; Aniline-p-sulphonic acid; 4-amino-1-benzenesulfonic acid; P-ANILINE SULFONIC ACID; NSC-7170; NITRATE REAGENT B; p-Anilinesulfonic acid; P-SULFANILIC ACID; sulfanilic acid; CHEMBL1566888; NCGC00090886-01; Sulfanilic acid, 99.0-100.5%, suitable for determination of nitroxide; UKRORGSYN-BB BBR-006490; AC-12565; Sulfanilic acid, Vetec(TM) reagent grade, 99%; BG00601609; CTK0H5255; 4-Sulfoaniline; MolPort-001-783-839; HVBSAKJJOYLTQU-UHFFFAOYSA-N; bmse000726; p-aminobenzenesulphonic acid; Sulfanilsaeure [German]; AI3-15414; 4-Amino-benzenesulfonic acid; LABOTEST-BB LTBB002174; AM91128; AC1Q6WPM; Sulfanilic acid;; MCULE-9573132621; DTXSID6024464; 28029-EP2311809A1; S0120; p-Aminobenzenesulfonic acid; Sulfanilic acid, p.a., 98.0-102.0%; TRA0084520; MFCD00007886; Sulfanilic acid, 98% 250g; aniline-4-sulphonic acid; CCRIS 4576; 4-AMINOBENZENESULPHONIC ACID; TIMTEC-BB SBB028140; STK661383; 4-ANILINESULFONIC ACID; HSDB 5590; 4-Amino benzenesulphonic acid; BB_SC-7049; RTR-034638; SULFANILATE ZINC; AJ-26659; SULFANILIC ACID; Sulfanilic acid, puriss. p.a., >=99.0% (T); AK-53425; Sulfanilic Acid, Pharmaceutical Secondary Standard; Certified Reference Material; F0001-0346; AKOS000118732;Sulfanilsaeure;InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10; AIDS020178; S5263_SIGMA; p-Aminobenzenesulfonic acid; A3126/0132260; 121-57-3; 86090_FLUKA; NCGC00090886-02; 4-Sulfanilic acid; Sulfanilic acid; NSC7170; NSC 7170; Aniline-p-sulphonic acid; CHEBI:27500; Benzenesulfonic acid, 4-amino-; 4-Aminobenzenesulfonic acid; CCRIS 4576; EINECS 204-482-5; HSDB 5590; p-Aminophenylsulfonic acid; Sulphanilic acid; NCGC00090886-01; C06335; AIDS-020178; Sulfanilsaeure [German]; AI3-15414; 251917_SIAL; Aniline-4-sulfonic acid; Kyselina sulfanilova [Czech]; Aniline-p-sulfonic acid |
C6H7NO3S |
173.19 g/mol |
C1=CC(=CC=C1N)S(=O)(=O)O |
|
TCMBANKIN058261 |
P-hydroxy phenol;hydroquinone |
KBioSS_002237; p Benzendiol; CHEBI:17594; Hydroquinone 4%, tretinoin 0.05%, fluocinolone acetonide 0.01%; C15603; Derma-Blanch; para-Dioxybenzene; Eldoquin (TN); hydroquinol; p-Dioxobenzene; EU-0100577; AIDS-000964; Dihydroxybenzene; p-Hydroquinone; HSDB 577; para-Dihydroxybenzene; 1,4-Dihydroxybenzene; EINECS 204-617-8; Hydroquinone (USP); ST5214344; Benzohydroquinone; 1,4-Dihydroxy-benzol; Phiaquin; Solaquin Forte; Hydroquinone polymer; NCGC00090880-01; Fluocinolone acetonide mixture with hydroquinone and tretinoin; D00073; AIDS-220864; 1,4-benzenediol; Melanex; Diak 5; H17902_SIAL; Eldoquin; Fluocinolone acetonide, hydroquinone, and tretinoin; 1,4-Diidrobenzene [Italian]; Spectrum2_001672; Idrochinone [Italian]; c0091; H9003_SIGMA; Dihydroquinone; InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8; KBio2_004805; NCI-C55834; Eldopaque Forte; KBio2_002237; 8027-02-9; Hydroquinone tablets; Quinol; UN2662; CCRIS 714; 940291-89-4; p-Benzenediol; NSC 9247; HE 5; Eldoquin Forte; Spectrum4_000633; BSPBio_002291; NCGC00090880-04; para-Hydroquinone; Lopac0_000577; KBioGR_001246; 123-31-9; AIDS220864; Arctuvin; Spectrum5_001430; .beta.-Quinol; Idrochinone; Hydroquinone [UN2662] [Poison]; C00530; WLN: QR DQ; ZINC00001541; .alpha.-Hydroquinone; Spectrum_001757; p-Hydroxyphenol; 1,4-Dihydroxy-benzeen; Hydroquinone/tretinoin/fluocinolone cream; SPECTRUM1504237; Benzene-1,4-diol; MLS000069815; Triluma; p-Dioxybenzene; p-Dihydroxybenzene; 1,4-Dihydroxybenzen; SpecPlus_000769; H3660_SIAL; Tecquinol; SMR000059154; Hydrochinon; 1,4-Dihydroxybenzen [Czech]; Tequinol; Tretinoin, hydroquinone, and fluocinolone acetonide; HT1014_SIGMA; AIDS000964; NCGC00015523-01; 1,4-Diidrobenzene; AI3-00072; Usaf ek-356; Hydroquinole; 1,4-Dihydroxy-benzeen [Dutch]; 57534-13-1; Tenox HQ; SPBio_001883; DivK1c_006865; Black and White Bleaching Cream; KBio1_001809; Hydroquinone / tretinoin / fluocinolone; Spectrum3_000656; HYDROQUINONE; Artra; 1,4-Dihydroxy-benzol [German]; Hydrochinon [Czech, Polish]; KBio3_001511; 1,4-Dihydrobenzoquinone; LS-187959; 4-Hydroxyphenol; NCGC00090880-03; SCHEMBL4934871; HYDROP; KBio2_007373; Lopac-H-9003; Pyrogentistic acid; Benzene, p-dihydroxy-; 1,4-Hydroxybenzene; Benzoquinol; Hidroquinone; NSC9247; Eldopaque; para-Hydroxyphenol |
C6H6O2 |
110.11 g/mol |
C1=CC(=CC=C1O)O |
|
TCMBANKIN058262 |
6-demethoxycapillarisin |
Demethoxycapillarisin;5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one; demethoxycapillarisin; 6-Demethoxycapillarisin; 5,7-dihydroxy-2-(4-hydroxyphenoxy)chromone; 5,7-dihydroxy-2-(4-hydroxyphenoxy)-4-chromenone; 61854-36-2 |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1O)OC2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058264 |
Skimmetin |
Hydrangin; AI3-38054; ACon1_000219; Coumarin, 7-hydroxy-; SPBio_002083; H24003_ALDRICH; EINECS 202-240-3; CCRIS 3591; MEGxp0_000814; 7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-2-chromenone; BSPBio_002362; NSC19790; 7 HC; Spectrum2_001962; Hydrangine; NSC 19790; ST5308216; 93979_FLUKA; 5-18-01-00386 (Beilstein Handbook Reference); NCGC00095801-01; Skimmetine; BRN 0127683; SPECTRUM231084; beta-umbelliferone; 7-Hydroxycoumarin; Umbelliferon; 7-hydroxy-2H-chromen-2-one; CHEBI:27510; AIDS-005662; Umbelliferone; .beta.-Umbelliferone; Spectrum3_000751; 2H-1-Benzopyran-2-one, 7-hydroxy-; 7-Oxycoumarin; C09315; ZINC00058111; 7-hydroxychromen-2-one; NCI60_001646; 93-35-6; InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10; SDCCGMLS-0066941.P001; AIDS005662; KBio3_001582 |
C9H6O3 |
162.14 |
C1=CC(=CC2=C1C=CC(=O)O2)O |
|
TCMBANKIN058266 |
niacinamide;nicotinamide |
Nicotinamide compound with [1,3,4]thiadiazol-2-yl-cyanamide; AC1MHXJ9; pyridine-3-carboxamide; 1,3,4-thiadiazol-2-ylcyanamide; LY217896 & Nicotinamide |
C6H6N2O |
122.12 g/mol |
C1=CC(=CN=C1)C(=O)N |
|
TCMBANKIN058270 |
p-quinone;Quinone |
Chinon [Dutch, German]; EPA Pesticide Chemical Code 059805; p-Benzoquinone; 54560-36-0; 1,4-Dioxy-benzol; 1,4-Diossibenzene; Benzo-chinon; Lopac-B-1266; 1,4-Diossibenzene [Italian]; Lopac0_000120; EINECS 203-405-2; benzo-1,4-quinone; UN2587; HSDB 1111; USAF P-220; 3225-29-4; 106-51-4; C15602; Benzo-chinon [German]; 1,4-Cyclohexadienedione; NSC36324; c0261; 1,4-Dioxy-benzol [German]; 1,4-Benzoquinone; Caswell No. 719C; RCRA waste no. U197; Steara pbq; 19052-63-2; quinone; p-Quinone; Semiquinone anion; AIDS-000153; 1,4-Benzoquine; para-Quinone; WLN: L6V DVJ; CHEBI:16509; Chinone; semiquinone radicals; C00472; B10358_ALDRICH; 1,4-Cyclohexadiene dioxide; InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4; CCRIS 933; p-Chinon [German]; Cyclohexadienedione; 2,5-Cyclohexadiene-1,4-dione; Benzoquinone; 1,4-Dioxybenzene; Cyclohexadiene-1,4-dione; RCRA waste number U197; Quinone1,4-Benzoquinone; cyclohexa-2,5-diene-1,4-dione; NCGC00015139-01; NCGC00091053-01; 12309_FLUKA; p-Chinon; NCI-C55845; para-Benzoquinone; AI3-09068; Benzoquinone [UN2587] [Poison]; 1,4-Benzochinon; EU-0100120; NSC 36324; 2,5-Cyclohexadiene-1,4-dione, radical ion(1-); 51226-74-5; AIDS000153 |
C6H4O2 |
108.09 g/mol |
C1=CC(=O)C=CC1=O |
|
TCMBANKIN058271 |
coumalic acid |
Cumalic acid; 6-ketopyran-3-carboxylic acid; 500-05-0; EINECS 207-899-0; 2-Oxo-1,2H-pyran-5-carboxylic acid; SBB004170; AIDS002612; 2H-Pyran-5-carboxylic acid, 2-oxo-; 2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone; alpha-Pyrone-5-carboxylic acid; 28130_FLUKA; InChI=1/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9; 6-oxopyran-3-carboxylic acid; NSC 22978; 2-Oxopyran-5-carboxylic acid; 2-Pentenedioic acid, 4-(hydroxymethylene)-, .delta.-lactone; Coumalic acid; 6-oxo-3-pyrancarboxylic acid; C85409_ALDRICH; 2-Pyrone-5-carboxylic acid; NSC22978; .alpha.-Pyrone-5-carboxylic acid; AIDS-002612; 2-oxo-2H-pyran-5-carboxylic acid |
C6H4O4 |
140.09 g/mol |
C1=CC(=O)OC=C1C(=O)O |
|
TCMBANKIN058276 |
2-aminobenzoic acid |
ortho-Aminobenzoic acid; anthranilic acid; vitamin L1; A89855_ALDRICH; BRN 0471803; 1321-11-5; NSC144; NSC3937; ANTHRANILATE; 2-Carboxyphenylamine; 6AB; NSC 173996; InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10; Anthranilic acid-ring-UL-14C; 2-AA; o-Anthranilic acid; o-Carboxyaniline; 14342-65-5; NCGC00091175-01; Caswell No. 033G; EINECS 204-287-5; 2-aminobenzoic acid; NSC 144; BENZOIC ACID,2-AMINO ANTHRANILIC ACID; anthranilic acid; 80206-34-4; 304557_SIGMA; CHEBI:30754; NCI-C01730; alpha-Aminobenzoic acid; Benzoic acid, amino- (8CI)(9CI); 2-Aminobenzoic-ring-ul-14C acid; 1-Amino-2-carboxybenzene; BE2; 10680_FLUKA; C00108; AI3-02408; 2-Carboxyaniline; AIDS-020028; Benzoic acid, 2-amino-; WLN: ZR DVQ; AIDS020028; 6-AMINOBENZOIC ACID; SBB007560; EINECS 215-310-3; NSC40929; NCIOpen2_001191; o-aminobenzoic acid; Benzoic acid, o-amino-; CCRIS 49; Kyselina o-aminobenzoova [Czech]; 10678_FLUKA; Oprea1_390012; 118-92-3; Kyselina anthranilova [Czech]; HSDB 1321 |
C7H7NO2 |
137.14 g/mol |
C1=CC=C(C(=C1)C(=O)O)N |
|
TCMBANKIN058277 |
2-hydroxybenzoic acid |
O-hydroxybenzoic acid; 3- coffee acid; Thick-stemmed black base |
C7H6O3 or HOC6H4COOH |
138.12 g/mol |
C1=CC=C(C(=C1)C(=O)O)O |
|
TCMBANKIN058281 |
NK |
90-02-8; 2-HYDROXY-BENZALDEHYDE; 03273_FLUKA; 27761-48-4; Salicylal; C06202; Salizylaldehyd; 4-08-00-00176 (Beilstein Handbook Reference); Salicyladehyde; Salicylic aldehyde; c0337; AIDS-017916; InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9; HSDB 721; o-Formylphenol; CHEBI:16008; Benzaldehyde, 2-hydroxy-; Benzaldehyde, o-hydroxy-; ZINC00896073; W300403_ALDRICH; S356_ALDRICH; CCRIS 7451; WLN: VHR BQ; NSC 49178; ST5213374; AIDS017916; NSC187662; AI3-02174; 2-Hydroxybenzaldehyde; 84160_FLUKA; FEMA No. 3004; o-Hydroxybenzaldehyde; 2-Formylphenol; NSC49178; BRN 0471388; EINECS 201-961-0; Salicylaldehyd; Salicylaldehyde |
C7H6O2 |
122.12 g/mol |
C1=CC=C(C(=C1)C=O)O |
|
TCMBANKIN058282 |
2-hydroxyphenyl acetic acid |
2-hydroxyphenyl aceticacid;OHP;(2-Hydroxyphenyl)acetic acid; EINECS 210-393-2; o-Hydroxy phenylacetic acid; NSC 62000; 2-Hydroxybenzeneacetic acid; Acetic acid, (o-hydroxyphenyl)-; Acetic acid, (o-hydroxyphenyl)- (8CI); 2-(2-hydroxyphenyl)ethanoic acid; (2-HYDROXYPHENYL)-ACETIC ACID; O-HYDROXYPHENYLACETIC ACID; 2-Hydroxyphenylacetate; 2-Hydroxyphenyl acetic acid; (o-Hydroxyphenyl)acetic acid; SB 01717; Hydroxyphenylacetic acid; NSC62000; 2-Hydroxyphenylacetic acid; C05852; 614-75-5; Benzeneacetic acid, 2-hydroxy-; 56120_FLUKA; 2-(2-hydroxyphenyl)acetic acid; H49804_ALDRICH; InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11 |
C8H8O3 |
152.15 g/mol |
C1=CC=C(C(=C1)CC(=O)O)O |
|
TCMBANKIN058283 |
MELILOTATE |
C01198; 3-(2-hydroxyphenyl)propanoic acid; 3-(2-Hydroxyphenyl) propanoic acid; Melilotic acid; Oprea1_380863; 495-78-3; 3-(o-Hydroxyphenyl) propionic acid; 3-(2-Hydroxyphenyl) propionate; 2-hydroxybenzenepropanoic acid; 393533_ALDRICH; Benzenepropanoic acid, 2-hydroxy-; 3-(2-hydroxyphenyl)propanoate; InChI=1/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12; AIDS017764; AIDS-017764; ST5406932; 3-(2-Hydroxyphenyl)propionic acid; o-Hydroxyphenylpropionic acid; .beta.-(O-Hydroxyphenyl)propionic acid; CHEBI:16104; |
C9H10O3 |
166.17 g/mol |
C1=CC=C(C(=C1)CCC(=O)O)O |
|
TCMBANKIN058291 |
WLN: ZVR |
HSDB 6360; Phenylcarboxamide; Benzenecarboxamide; 4-09-00-00725 (Beilstein Handbook Reference); 399337_ALDRICH; BENZOIC ACID,AMIDE; Amid kyseliny benzoove; 135828_ALDRICH; AIDS-018394; InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9; STK069333; MLS000069472; Benzoic acid amide; ZINC00152996; ARONIS003511; AI3-01031; 27208-38-4; Amid kyseliny benzoove [Czech]; AIDS018394; NCGC00091355-01; Phenyl Carboxyamide; Phenylcarboxyamide; C09815; Benzamide; NSC3114; 55-21-0; CHEBI:28179; NSC 3114; NCGC00015142-01; Lopac-B-2009; BRN 0385876; Lopac0_000160; EINECS 200-227-7; EU-0100160; Benzoylamide; 150762_ALDRICH; CCRIS 4594; c0368; SMR000059089;benzamide |
C7H7NO |
121.14 |
C1=CC=C(C=C1)C(=O)N |
|
TCMBANKIN058293 |
BOX |
FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid |
C7H6O2 |
122.12 |
C1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN058314 |
benzaldehyde |
SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal |
C7H6O |
106.12 |
C1=CC=C(C=C1)C=O |
|
TCMBANKIN058323 |
BNL |
1,1'-Biphenyl, dodecahydro-; Bicyclohexane; Cyclohexylcyclohexane; 92-51-3; ST5405531; 1,1'-Bicyclohexyl; EINECS 202-161-4; Bicyclohexyl; 1,1'-BI(CYCLOHEXYL); Dicyclohexane; AI3-01174; NSC59855; D79403_ALDRICH; Dicyclohexyl; NSC 59855; Dodecahydrobiphenyl; Cyclohexane, cyclohexyl- |
C12H22 |
166.3 |
C1=CC=C(C=C1)C2=CC=CC=C2 |
|
TCMBANKIN058328 |
benzyl cyanide;WLN: NC1R; |
benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile |
C8H7N |
117.15 g/mol |
C1=CC=C(C=C1)CC#N |
|
TCMBANKIN058332 |
aurantiamide;N-[(1S)-1-(benzyl)-2-[[(1S)-1-(benzyl)-2-hydroxy-ethyl]amino]-2-keto-ethyl]benzamide |
58115-31-4; N-[(2S)-1-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]benzamide; N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide; N-[(1S)-2-[[(1S)-1-(hydroxymethyl)-2-phenylethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]benzamide; N-[(1S)-2-[[(1S)-1-(hydroxymethyl)-2-phenyl-ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]benzamide |
C25H26N2O3 |
402.5 g/mol |
C1=CC=C(C=C1)CC(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
|
TCMBANKIN058334 |
benzene acetaldehyde |
benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin |
C8H8O |
120.15 g/mol |
C1=CC=C(C=C1)CC=O |
|
TCMBANKIN058336 |
phenyl propionitrile |
Phenethyl cyanide; 645-59-0; Phenylpropionitrile; ZINC01747831; 3-Phenylpropiononitrile; NSC16936; .beta.-Phenylpropionitrile; BRN 0636348; 4-09-00-01764 (Beilstein Handbook Reference); 3-Phenylpropionitrile; AI3-23733; BENZENEPROPANENITRILE; Hydrocinnamonitrile; Benzenepropionitrile; EINECS 211-447-8; Hydrocinnamique nitrile [French]; 171573_ALDRICH; NSC 16936; (2-Cyanoethyl)benzene; InChI=1/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H; 2-Phenylethyl cyanide; 3-Phenylpropanenitrile |
C9H9N |
131.17 g/mol |
C1=CC=C(C=C1)CCC#N |
|
TCMBANKIN058337 |
alnustone |
1,7-diphenyl-4,6-heptadien-3-one |
C19H18O |
262.3 g/mol |
C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2 |
|
TCMBANKIN058339 |
3-PhenylpropionicAcid |
hydrocinnamic acid; Benzenepropanoic acid; HCI; phenylpropionic acid; InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11; Benzenepropionic acid; Dihydrocinnamic acid; 4-09-00-01752 (Beilstein Handbook Reference); 135232_ALDRICH; W288918_ALDRICH; 3-phenylpropionic acid; BETA-PHENYLPROPIONIC ACID; CCRIS 3199; Hydrocinnamic acid (8CI); NSC9272; Benzenepropanoic acid; AI3-00892; FEMA No. 2889; 56670_FLUKA; .beta.-Phenylpropionic acid; Phenylpropanoic acid; AIDS-110926; 501-52-0; 3-Phenylpropanoic acid; beta-Phenylpropioic acid; Benzylacetic acid; Phenylpropionic acid; C05629; BRN 0907515; NSC 9272; ST5308541; Phenylpropanoate; 3-Phenyl-propionic acid; EINECS 207-924-5; AIDS110926 |
C9H10O2 |
150.17 g/mol |
C1=CC=C(C=C1)CCC(=O)O |
|
TCMBANKIN058340 |
Trans-1,7-diphenyl-1-hepten-5-ol |
trans-1,7-diphenyl-1-hepten-5-ol; 1,7-diphenyl-5-hydroxy-1-heptene;trans-1,7-diphenyl-1hepten-5-ol;trans-1,7-Diphenyl-1hepten-5-ol |
C19H22O |
266.41 g/mol |
C1=CC=C(C=C1)CCC(CCC=CC2=CC=CC=C2)O |
|
TCMBANKIN058341 |
1,7-diphenylhept-4-en-3-one |
DAH-3-Keto-4-en;1,7-diphenyl-4-hepten-3-one;MEGxp0_001315; (4E)-1,7-diphenyl-hepta-4-en-3-on; ACon1_001294; InChI=1/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8; (E)-1,7-di(phenyl)hept-4-en-3-one; 1,7-Diphenylhept-4-en-3-one |
C19H20O |
264.4 g/mol |
C1=CC=C(C=C1)CCC=CC(=O)CCC2=CC=CC=C2 |
|
TCMBANKIN058342 |
benzenepropanal |
NSC9271; Propionaldehyde, phenyl-; 3-Phenylpropionaldehyde; 56660_FLUKA; 3PL; 104-53-0; 4-07-00-00692 (Beilstein Handbook Reference); EINECS 215-620-9; 3-Phenylpropylaldehyde; dl-2-Phenylpropionaldehyde; 719304-66-2; W288705_ALDRICH; NSC 9271; HYDROCINNAMALDEHYDE; SBB006730; Propanal, phenyl-; Benzylacetaldehyde; 1335-10-0; Dihydrocinnamaldehyde; Hydrocinnamylaldehyde; 3-Phenyl-1-propanal; EINECS 203-211-8; 393193_ALDRICH; Phenylpropionaldehyde; InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H; .beta.-Phenylpropionaldehyde; BRN 1071910; AI3-01377; beta-Phenylpropionaldehyde; 3-Phenylpropanal; FEMA No. 2887; Benzenepropanal; WLN: VH1UU1R; ZINC01699889; UPCMLD00WV-107; Hydrocinnamic aldehyde; Propionaidehyde, 3-phenyl-; 3-Phenylpropyl aldehyde;3-phenylpropanal;WLN: VH2R |
C9H10O |
134.17 g/mol |
C1=CC=C(C=C1)CCC=O |
|
TCMBANKIN058348 |
Benzenepropanol |
phenylpropyl alcohol;benzylethyl-alcohol;NCGC00165987-01; 3-Benzenepropanol; Hydrocinnamyl alcohol; 3-Phenylpropan-1-ol; 1-Propanol, 3-phenyl-; BRN 1857542; 4-06-00-03198 (Beilstein Handbook Reference); FEMA No. 2885; gamma-Phenylpropanol; (3-Hydroxypropyl)benzene; 3-Phenylpropanol; Hydrocinnamic alcohol; .gamma.-Phenylpropanol; NSC 16942; NSC16942; 3-Phenyl-n-propanol; 1335-12-2; EINECS 215-621-4; 79000_FLUKA; EINECS 204-587-6; AI3-02067; benzene propanol; .gamma.-Phenylpropyl alcohol; 3-Phenylpropyl alcohol; CCRIS 3200; 3-Phenyl-1-propanol (natural); W288500_ALDRICH; Phenylpropyl alcohol; InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H; 3-Phenyl-1-propanol; 140856_ALDRICH; Dihydrocinnamal alcohol; ZINC01571261; 1-Propanol, phenyl-; 122-97-4; 1-Hydroxy-3-phenylpropane; 3-PHENYL-PROPAN-(1)-OL; Benzylethyl alcohol; 3-Phenylpropanol-1 |
C9H12O |
136.19 |
C1=CC=C(C=C1)CCCO |
|
TCMBANKIN058349 |
phenethylamine |
2-PHENYLETHYLAMINE SULFATE; AC1O4DZ7;PEA;NSC10811; (2-Aminoethyl)polystyrene; 81559_FLUKA; 2-phenylethanamine; Phenethylamine; Benzeneethanamine; Polystyrene A-NH2; Ethanamine, 2-phenyl-; 64-04-0; BRN 0507488; 2-Fenylethylamin [Czech]; .beta.-Phenylaethylamin; 41346_FLUKA; NSC 10811; ST5213756; 4-12-00-02453 (Beilstein Handbook Reference); beta-phenylethylamine; 81558_FLUKA; 1-Phenyl-2-aminoethane; beta-Aminoethylbenzene; Ethylamine, 2-phenyl-; beta-Phenylaethylamin [German]; SMR000471837; NCGC00163366-01; 241008_ALDRICH; 1-Amino-2-phenylethane; EINECS 200-574-4; 2-phenylethylamine; AI3-03117; W322008_ALDRICH; PHENETHYLAMINE, BETA; InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H; AIDS-018561; PHENYLETHYLAMINE; .omega.-Phenylethylamine; C05332; .beta.-Phenethylamine; 2-Phenethylamine; CHEBI:18397; 1-Phenyl-2-amino-athan; FEMA No. 3220; AIDS018561; beta-Phenethylamine; .beta.-Aminoethylbenzene; .beta.-Phenylethylamine; WLN: Z2R; 1-Phenyl-2-amino-athan [German]; HSDB 3526; MLS001066395; 128945_ALDRICH; 2-Amin |
C8H11N |
121.18 g/mol |
C1=CC=C(C=C1)CCN |
|
TCMBANKIN058353 |
WLN: VHO2R;phenyl ethyl formate |
Phenethyl formate (natural); 2-Fenylethylester kyseliny mravenci [Czech]; EINECS 203-220-7; FEMA No. 2864; AI3-18542; Benzyl carbinyl formate; W286400_ALDRICH; Phenylethyl formate; ST5409324; BRN 2044524; 2-phenylethyl methanoate; Benzeneethanol, formate; FORMIC ACID, PHENETHYL ESTER; Benzylcarbinyl formate; NSC 404456; Benzylcarbinyl methanoate; 2-Phenethyl formate; .beta.-Phenylethyl formate; NSC404456; 2-Phenethyl methanoate; 104-62-1; Phenyl ethyl formate; .beta.-Phenethyl formate; Phenethyl alcohol, formate (8CI); Phenethyl alcohol, formate; Phenethyl formate; 2-Phenylethyl formate; formic acid 2-phenylethyl ester; Formic acid, 2-phenylethyl ester |
C9H10O2 |
150.17 g/mol |
C1=CC=C(C=C1)CCOC=O |
|
TCMBANKIN058354 |
Urogran |
NSC 118976; CHEBI:17484; benzyl isothiocyanate; NCIMech_000859; CHEBI:17484; KBio1_001724; (isothiocyanatomethyl)-benzene; MFCD00004819; UNII-871J6YOR8Q; KBioGR_001358; I0224; LS-7216; Benzene, (isothiocyanatomethyl)-; TR-033289; Isothiocyanatomethyl)benzene; Benzyl mustard oil; NCGC00094982-03; Spectrum_001820; KSC250O3D; AC1Q7EX9; KS-00000V2U; FT-0622167; 622-78-6; KBio2_007457; NSC-118976; ZINC1529592; HMS1921P18; KBio2_004889; Spectrum2_000852; DSSTox_RID_75407; Isothiocyanic Acid Benzyl Ester; CTK1F0731; NSC-758206; AB 2 (VAN); SCHEMBL44145; DB-022613; F0001-1663; DSSTox_CID_155; CCG-35868; Urogran; Pharmakon1600-01503006; KS-00001PQO; SPECTRUM1503006; Isothiocyanotaomethylbenzene; Benzene, isothiocyanatomethyl-; Spectrum5_001837; isothiocyanatomethyl-benzene; CJ-23924; Benzyl-isothiocyanate; DTXSID0020155; AB 2; phenylmethyl isothiocyanate; BRN 0386135; isothiocyanato-methyl-benzene; OTAVA-BB 1055640; AS04379; Benzylsenfoel [German]; AC1L1DH3; NSC118976; SBB002731; Tromalyt; alpha-Isothiocyanato-Toluene; WLN: SCN1R; Tromacaps; (Isothiocyanatomethyl)benzene; DSSTox_GSID_20155; ST50214559; 871J6YOR8Q; 1-(isothiocyanatomethyl)benzene; NSC758206; (Isothiocyanatomethyl)benzene, 9CI; Benzyl isothio cyanate; QTL1_000013; SBI-0052749.P002; CCRIS 3145; MCULE-5989558191; Toluene, alpha -isothiocyanato-; STK399787; 58019-05-9; NCIMech_000859; Isothiocyanic acid, benzyl ester; SDCCGMLS-0066697.P001; Spectrum4_001059; BITC, 17; TIMTEC-BB SBB002731; benzyl isothio cyanate; SR-05000002381; NCGC00094982-01; (Isothiocyanatomethyl)benzene #; a-isothiocyanatotoluene; CHEMBL55285; AI3-02736; EINECS 210-753-9; NCI60_000455; Benzyl isothiocyanate, 98%, FG; Tromocaps; AKOS000212138; NCGC00258743-01; Tromalyt active substance; KB-75435; PMITC cpd; ANW-34134; J-650076; MolPort-000-147-097; NCGC00094982-04; DivK1c_006780; alpha-isothiocyanatotoluene; Benzylisothiocyanate; RTR-033289; benzylisothiocyanate; NSC 118976; TL8004089; KBio2_002321; ZERO/008132; AC1Q7EYE; BBL013129; AKOS BBS-00004442; Spectrum3_000793; BDBM50240520; CAS-622-78-6; C03098; SPBio_000863; ACMC-209n1k; BB_SC-6549; KBio3_001746; I09-2433; BSPBio_002526; SR-05000002381-2; PubChem14549; isothiocyanatomethylbenzene; SpecPlus_000684; SC-13625; Benzyl isothiocyanate, analytical standard; Benzylsenfoel; Toluene, alpha-isothiocyanato-; Benzylsenfoel (german); AKOS JY2090023; LS11773; 4-12-00-02276 (Beilstein Handbook Reference); SR-05000002381-1; phenylmethanisothiocyanate; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; Benzyl isothiocyanate, 98%; MDKCFLQDBWCQCV-UHFFFAOYSA-N; Tox21_201191; BITC; Benzyl isothiocyanate; NCGC00094982-02; AB00053249_03; FEMA 4428; BP-12924; KBio1_001724; KBio2_002321; (isothiocyanatomethyl)benzene; KBioGR_001358; Isothiocyanic acid, benzyl ester; ZERO/008132; Spectrum3_000793; Spectrum4_001059; SDCCGMLS-0066697.P001; C03098; SPECTRUM1503006; Benzene, (isothiocyanatomethyl)-; SPBio_000863; NCGC00094982-01; KBio3_001746; Spectrum5_001837; ZINC01529592; Benzyl mustard oil; Benzyl-isothiocyanate; AI3-02736; EINECS 210-753-9; BSPBio_002526; BRN 0386135; NCI60_000455; isothiocyanatomethylbenzene; SpecPlus_000684; Benzylsenfoel [German]; Spectrum_001820; NSC118976; Tromalyt; Toluene, alpha-isothiocyanato-; Benzylsenfoel; WLN: SCN1R; CCRIS 3145; Tromacaps; 4-12-00-02276 (Beilstein Handbook Reference); KBio2_007457; 622-78-6; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; KBio2_004889; Spectrum2_000852; 252492_ALDRICH; Benzyl isothiocyanate; NCGC00094982-02; 13505_FLUKA; DivK1c_006780; AB 2 (VAN); Benzyl isothio cyanate; QTL1_000013; Benzylisothiocyanate; W510548_ALDRICH |
C8H7NS |
149.21 g/mol |
C1=CC=C(C=C1)CN=C=S |
|
TCMBANKIN058355 |
Aromatic alcohol |
NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R |
C7H8O |
108.14 g/mol |
C1=CC=C(C=C1)CO |
|
TCMBANKIN058360 |
Tropeolin |
Benzyl rhodanide; EINECS 221-144-2; Benzylrhodonid; Thiocyanic acid, phenylmethyl ester; WLN: NCS1R; 3012-37-1; Benzyl-thiocyanate; B32009_ALDRICH; STK331791; ZINC01529490; Solvat 14; AJ-087/40225997; alpha-Thiocyanatotoluene; NSC1729; Toluene, alpha-thiocyanato-; AI3-08887; NSC 130266; NSC130266; thiocyanatomethylbenzene; Toluene, .alpha.-thiocyanato-; InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H; Benzyl thiocyanate; CCRIS 3085; CHEBI:16017; BRN 1859726; 13929_FLUKA; C02660; Benzylthiocyanate; NSC 1729; Thiocyanic acid, benzyl ester; 4-06-00-02680 (Beilstein Handbook Reference); .alpha.-Thiocyanatotoluene; phenylmethyl thiocyanate;benzyl thiocyanate;benzyl thiocyanate |
C8H7NS |
149.21 g/mol |
C1=CC=C(C=C1)CSC#N |
|
TCMBANKIN058364 |
IPH |
NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene |
C6H6O |
94.11 g/mol |
C1=CC=C(C=C1)O |
|
TCMBANKIN058367 |
indirubin |
NSC-105327; KBio2_000450; 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; 2-(2-oxo-3-indolinylidene)-3-indolinone; Couroupitine B; [.DELTA.2,3'-Biindoline]-2',3-dione; MLS000759416; 479-41-4; 5-24-08-00507 (Beilstein Handbook Reference); KBio3_000839; NSC105327; NSC 105327; (2E)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; KBioGR_000450; Indigopurpurin; KBioSS_000450; (2E)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; indirubin ; (delta2,3'-Biindoline)-2',3-dione (8CI); 2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (delta(sup 2,3')-BIINDOLINE)-2',3-DIONE; Indirubin; (2E)-2-(2-oxoindolin-3-ylidene)indolin-3-one; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-; SMR000466311; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (9CI); BRN 0088279; C.I. 73200; KBio2_005586; (2E)-2-(2-oxo-3-indolinylidene)-3-indolinone; Indigo Red; KBio2_003018; EM-A05-INDIRUBIN; 2-(2-oxoindolin-3-ylidene)indolin-3-one; KBio3_000840; Bio2_000395; Bio2_000875; (2Z)-2-(2-oxo-3-indolinylidene)-3-indolinone; (2Z)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; IDI1_002150; BSPBio_001110; NCGC00163356-01; BiomolKI2_000073; NCGC00163356-02; NCGC00163356-03; BiomolKI_000069; (2Z)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one |
C16H10N2O2 |
262.26 |
C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O |
|
TCMBANKIN058369 |
α－ionone |
4-Hydroxycoumarin; 4-hyroxycoumarin; CHEMBL301141; WLN: T66 BOVJ EQ; 4-Hydroxy-2H-1-benzopyran-2-one; 4-Hydroxycoumarin, 98%; TRA-0204940; HMS1607G02; 22105-09-5; 4-Hydroxy-2H-chromen-2-one #; LS40467; RTC-020138; AK-49238; I14-4404; BG01501065; DB03410; Z56922074; 4-Hydroxycoumarin; NSC 11889; SR-01000389319; 1076-38-6; DB-014485; COUMARINOL; NCI60_000453; MolPort-000-294-754; MEGxm0_000452; VXIXUWQIVKSKSA-UHFFFAOYSA-N; SCHEMBL131312; 5-18-01-00378 (Beilstein Handbook Reference); A-9316; RP22489; 4-hydroxy-coumarin; 2-hydroxychromen-4-one; 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%; EINECS 214-060-2; AI3-52393; SC-00282; ANW-15833; TC-020138; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; NCGC00179970-01; 4-Hydroxy-chromen-2-one; NSC11889; 4-Coumarinol; SMR000112320; ST2418405; MLS004491719; 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin); ACon1_001952; BRD-K48844111-001-01-4; BG01501064; KSC175M9D; 4-hydroxychromen-2-one; 4-HYDROXY-1-BENZOPYRAN-2-ONE; Coumarin, 4-hydroxy- (8CI); TL8000267; BRN 0129768; 4-hydroxy-2H-benzo[b]pyran-2-one; BG00601083; AH-034/32464035; Coumarin, 4-hydroxy-; EBD2035794; LS-39686; AKOS000119142; 4-Hydroxy coumarin; 2-Hydroxychromone; BBL027616; 4-Hydroxycoumarine; BB 0220623; BB_NC-0709; ICCB4_000134; 4HC; 4-HYDROXYCOUMARINS; 4H-1-Benzopyran-4-one, 2-hydroxy-; ST50211285; 4-hydroxy-2-oxo-2H-1-benzopyran; AN-1038; MCULE-5951606896; FT-0660645; SCHEMBL1961365; ZINC96006086; 4-Hydroxy-2H-chromen-2-one; ACMC-1BO7V; CBiol_000838; AJ-70366; SR-01000389319-1; DTXSID8061472; PubChem8693; NSC-11889; AM84328; ZINC18154848; J-515519; UNII-X954ZLL2RD; 4-hydroxycoumarin (OLD); STK801816; AC1L234K; J-620003; F0266-2972; MFCD00006856; 4-Monohydroxycoumarin; 4- Hydroxycoumarin; KB-39170; STR01861; 4-hydroxy-2-chromenone; CHEBI:40070; AC-13227; hydroxychromone; X954ZLL2RD; BDBM50055710; FT-0602218; InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10; EU-0066799; C20414; Benzotetronic acid; SBB038533; AB0004657; CTK0H5691; 4-hydroxycoumarin |
C9H6O3 |
162.14 |
C1=CC=C2C(=C1)C(=CC(=O)O2)O |
|
TCMBANKIN058371 |
ICO |
1H-Indole-3-carboxylic acid; EINECS 212-231-6; Indole-3-carboxylic acid; 284734_ALDRICH; 57225_FLUKA; SBB003952; CHEBI:24809; InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12; Oprea1_560034; SDCCGMLS-0065969.P001; 771-50-6;indole-3-carboxylic acid;indole-3-carboxylicacid;3-indolecarboxylic acid |
C9H7NO2 |
161.16 g/mol |
C1=CC=C2C(=C1)C(=CN2)C(=O)O |
|
TCMBANKIN058374 |
Indolyl acetic acid |
3-indolylaceticacid;Indole acetic acid;IES;heteroauxin;1H-Indole-3-acetic acid (9CI); beta-Indoleacetic acid; 54692-39-6; I8262_SIGMA; CHEBI:16411; 87-51-4; 1H-indol-3-ylacetic acid; CCRIS 1014; Heteroauxin; InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13; 1H-Indole-3-acetic-a-t acid (9CI); EPA Pesticide Chemical Code 128915; EU-0099905; Indole-3-acetic acid-carboxy-14C; Acetic acid, indolyl-; beta-Indolylacetic acid; I3750_ALDRICH; omega-Skatole carboxylic acid; 2-(1H-Indol-3-yl)acetic acid; .beta.-Indole-3-acetic acid; MLS001066408; I2886_SIGMA; C00954; Hexteroauxin; .beta.-Indolylacetic acid; Indol-3-ylacetic acid; Rhizopin; Indole-3-acetic acid (8CI); [3H]-IAA; NSC 3787; Indole-3-acetic-t acid; WLN: T56 BMJ D1VQ; 3-(Carboxymethyl)indole; .alpha.-Indol-3-yl-acetic acid; 45533_RIEDEL; (1H-Indol-3-yl)acetic acid; ST5308201; .omega.-Skatole carboxylic acid; Maybridge1_006755; IAA; SDCCGMLS-0066204.P001; beta-IAA; Indoleacetic acid (VAN); 3-IAA; 3-Indolylacetic acid; 6305-45-9; Indolyl-3-acetic acid; 3-Indolylessigsaeure; Oprea1_602123; indole-3-acetic acid; IAC; Rhizopon A; Kyselina 3-indolyloctova [Czech]; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 1H-Indole-3-acetic acid; 3-Indolylmethylcarboxylic acid; .beta.-IAA; AIDS009893; SMR000471855; SR-01000596909-2; EINECS 201-748-2; 2-(1H-indol-3-yl)ethanoic acid; alpha-IAA; Heteroauxinhexteroauxiniaa; .alpha.-IAA; indoleacetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indoleacetic acid; NSC3787; .beta.-Indoleacetic acid; AIDS-009893; AI3-24131 |
C10H9NO2 |
175.18 g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
|
TCMBANKIN058375 |
tryptophan |
(3s)2,3-dihydro-l-tryptophan; ZINC32141959;tryptophane;WV;L-tryptophan;HSDB 4142; Tryptophan, L-(8CI); AC1Q4U80; L-Tryptophan, Vetec(TM) reagent grade, >=98%; alpha-Aminoindole-3-propionic acid; SR-01000075590-1; ZINC83315; 1-beta-3-Indolylalanine; L-(-)-Tryptophane; MolPort-044-812-611; IDI1_000457; MFCD00064340; L-2-Amino-3-indolepropionic acid; 8DUH1N11BX; STR02722; NCGC00261868-01; EU-0101183; Lopac0_001183; Tryptophan, L-; 80206-30-0; Tryptophan, European Pharmacopoeia (EP) Reference Standard; (s)-a-amino-b-indolepropionate; Tox21_201246; L-Trytophan; bmse000868; TC-066620; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; Sedanoct; UNII-8DUH1N11BX; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; Propionic acid, 2-amino-3-indol-3-yl; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; NCI-C01729; (S)-alpha-Aminoindole-3-propionate; L-Tryptophan, Cell Culture Reagent; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; bmse001017; AB1007074; tryptophan; BB_NC-1911; 2-amino-3-indol-3-ylpropionic acid; 154635-35-5; Pacitron; L-tryptophan; 2-Amino-3-indolylpropanoate; CTK2H7431; NCGC00094437-01; 2-Amino-3-indolylpropanoic acid; TRP NH3+ COOH; ZX-AT022248; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; HMS3263N07; L-TRYPTOPHAN SIGMA GRADE; alpha-Amino-3-Indoleproprionic Acid; Tryptophan (USP/INN); L-Tryptophan (9CI); D05EJG; A7403; (L)-TRYPTOPHAN; KSC377I3D; 1H-Indole-3-alanine; Alanine, 3-indol-3-yl-; NCGC00254424-01; MCULE-8004234494; (S)-1H-Indole-3-alanine; AKOS015854052; CHEBI:16828; LP01183; Lopac-T-0254; CHEMBL54976; GTPL717; 3-Indol-3-ylalanine; F0001-2364;HSDB 4142; MT1; T0254_SIAL; tryptophan (H-3); 1-beta-3-Indolylalanine; NChemBio.2007.20-comp7; IDI1_000457; EU-0101183; Lopac0_001183; 80206-30-0; (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; Sedanoct; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; BB_NC-1911; Pacitron; 2-Amino-3-indolylpropanoic acid; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; Tryptophan (USP/INN); L-Tryptophan (9CI); (L)-TRYPTOPHAN; Alanine, 3-indol-3-yl-; AIDS011920; CHEBI:16828; AIDS-011920; Lopac-T-0254; 3-Indol-3-ylalanine; C00078; Tryptan; TRP-01; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; 1H-Indole-3-alanine (VAN); AI3-18478; LS-185087; L-alpha-Aminoindole-3-propionic acid; SMR000326686; L-Alanine, 3-(1H-indol-3-yl)-; L-Trp; L-alpha-Amino-3-indolepropionic acid; Tryptophane; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; L-Tryptofan; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; (-)-Tryptophan; MLS001056750; alpha'-Amino-3-indolepropionic acid; Indoe-3-propionic acid, alpha-amino-; LTR; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; T8941_SIGMA; (S)-alpha-Amino-beta-indolepropionic acid; NSC 13119; CCRIS 617; L-Tryptophane; Tryptophane [French]; Tryptophanum [Latin]; 93659_FLUKA; D00020; Ardeytropin; DivK1c_000457; EINECS 200-795-6; EH 121; Tryptophan, L- (8CI); Triptofano [Spanish]; L-beta-3-Indolylalanine; KBio1_000457; L-(-)-tryptophan; Kalma; NCGC00015994-01; Lyphan; Tryptophan (VAN); h-Trp-oh; Tryptophan [USAN:INN]; L-Tryptophan (JP15); T4196_SIAL Pharmakon1600-01500600; triptofano; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; 2-Amino-3-(lH-indol-3-yl)-propanoic acid; DTXSID5021419; L-Ttp; Tryptophanum; AM82273; C00078; Tryptan; TRP-01; AJ-10635; L-Tryptophan, BioUltra, >=99.5% (NT); KB-53414; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; (S)-a-Aminoindole-3-propionic acid; 2a4m; L-Tryptophan, reagent grade, >=98% (HPLC); 1H-Indole-3-alanine (VAN); AI3-18478; trytophan; LS-185087; BIT0720; CS-W020011; L-alpha-Aminoindole-3-propionic acid; AC1L1M8F; QIVBCDIJIAJPQS-VIFPVBQESA-N; SMR000326686; D-Trp-OH; Tryptophan (L-Tryptophan); L-Alanine, 3-(1H-indol-3-yl)-; CAS-73-22-3; Tox21_501183; L-Trp; OR28930; T 0254; ST2419449; alpha-Amino-beta-(3-indolyl)-propionic acid; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; ZX-AFC000605; DSSTox_GSID_21419; Tryptophane; 73T223; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; Epitope ID:136043; AX8034769; DSSTox_CID_1419; L-Tryptofan; S(-)-1-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; PubChem10984; (-)-Tryptophan; BDBM21974; MLS001056750; (s)-alpha-amino-beta-indolepropionate; CCG-205257; alpha'-Amino-3-indolepropionic acid; NCGC00094437-02; Indoe-3-propionic acid, alpha-amino-; NSC757373; C-48302; (S)-a-Amino-b-indolepropionic acid; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; L(-)-Tryptophan; DSSTox_RID_76152; DB-029986; SR-01000075590; BP-13286; l-b-3-Indolylalanine; Alanine, 3-indol-3-yl; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; ACT08662; DB00150; NCGC00258798-01; LS-1622; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-indolepropionic acid; NCGC00094437-04; BR-50074; AB00373874_05; RTC-066620; bmse000050; NSC 13119; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture; alpha-amino-beta-(3-indolyl)-pr opionic acid; GM0674; CCRIS 617; L-Tryptophane; Tryptophanum [Latin]; Tryptophane [French]; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan (H-3); (S)-a-Amino-1H-indole-3-propanoate; Tox21_300359; trp; AK-50074; Alti-Tryptophan; ANW-36308; Ardeytropin; D00020; DivK1c_000457; L-Tryptophan (JP17); (S)-(-)-Tryptopha n; NCGC00094437-03; L-Trp-OH; EINECS 200-795-6; (S)-2-Amino-3-(3-indolyl)propionic acid; L-; EH 121; EC 200-795-6; Optimax; L-Trytophane; HMS501G19; Tryptophan, L- (8CI); NSC-757373; M02943; (S)-(-)-Tryptophan; HTS001390; RP26086; Triptofano [Spanish]; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; L-beta-3-Indolylalanine; A-Amino-3-indolepropionic acid; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; MolPort-001-794-499; KBio1_000457; BG00603884; 73-22-3; Kalma; NCGC00015994-01; AN-8742; 3-(1H-indol-3-yl)-L-Alanine; FT-0627592; Lyphan; Tryptophan (VAN); trofan; L-Tryptophan premix; L-Tryptophan, Vetec(TM), 98.5%; AC-17050; L-alpha-amino-3-indolepropionic acid; h-Trp-oh; 1qaw; SCHEMBL7328; Tryptophan [USAN:INN]; L-(-)-Tryptophan; L-Tryptophan (JP15); phosphatidylserine; (S)-alpha-Amino-1H-indole-3-propanoate; l-a-Aminoindole-3-propionic acid; D-2-Amino-3-indolepropionic acid; Z1245635763; (S)-a-Aminoindole-3-propionate; tryptacin |
C11H12N2O2;C3H8NO6P |
204.22 g/mol;185.07g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN058377 |
tryptamine |
tryptamine sulfate;TSS;KBioSS_000393; 2-(1H-indol-3-yl)ethylamine; DivK1c_000862; SMR000112268; IDI1_000862; 2-(3-Indolyl)ethylamine; 2-Indol-3-ylethylamine; KBio3_002903; SDCCGMLS-0066798.P001; 2-(1H-INDOL-3-YL)ETHANAMINE; KBio1_000862; Indol-3-ethylamine; NCGC00095081-01; KBioGR_001459; BSPBio_003400; Spectrum_000033; Indole, 3-(2-aminoethyl)-; SPECTRUM1503922; 193747_ALDRICH; 1H-Indole-3-ethanamine; Lopac-246557; SPBio_000945; AIDS072303; 5-22-10-00045 (Beilstein Handbook Reference); AIDS-072303; CHEBI:16765; EINECS 200-510-5; Spectrum2_000873; Lopac0_000061; MT4; TRYPTAMINE; Spectrum3_001890; AE-848/30735051; Spectrum4_000850; NINDS_000862; (Amino-2 ethyl)-3 indole [French]; NCGC00095081-04; C00398; BRN 0125513; KBio2_000393; 2-(Indol-3-yl)ethylamine; 3-(2-aminoethyl)indole; MLS000515794; TSH; NCGC00014994-01; NCGC00095081-02; KBio2_005529; Oprea1_870097; Spectrum5_001296; KBio2_002961; SBB003963; 61-54-1 |
C10H12N2 |
160.22 g/mol |
C1=CC=C2C(=C1)C(=CN2)CCN |
|
TCMBANKIN058378 |
IEA |
beta-Indol-3-ylethanol; NSC3884; NSC 3884; 3-Indolylethanol; 3-(beta-Hydroxyethyl)indole; Maybridge1_002422; BRN 0125553; Indole-3-ethanol; 3-(2-Hydroxyethyl)indole; 2-(3-Indolyl)ethanol; Ethanol, 3-indolyl-; CHEBI:17890; Indole ethanol; Indoleethanol; T90301_ALDRICH; EINECS 208-393-2; WLN: T56 BMJ D2Q; 5-21-03-00061 (Beilstein Handbook Reference); SBB003950; CDS1_000134; 1H-indolyl-3-ethanol; DivK1c_001174; Tryptophol; 2-(indol-3-yl)ethanol; 526-55-6; 1H-Indole-3-ethanol; Ethanol, 2-indol-3-yl-; .beta.-(3-Indole)ethanol; 3-Indoleethanol; ZINC00003252; C00955; 3-(.beta.-Hydroxyethyl)indole; Indole-3-ethanol (8CI); 54350_FLUKA; 2-(1H-indol-3-yl)ethanol |
C10H11NO |
161.2 g/mol |
C1=CC=C2C(=C1)C(=CN2)CCO |
|
TCMBANKIN058379 |
indican |
AoEassAssa(1/4)ONI; Indoxyl sulfate potassium salt; AC33706; 487-94-5 (Parent); Sulfuric acid= (1H-indol-3-yl)=potassium ester salt; TRA0056760; SMR000875350; 3-Indoxylsulfuric acid, potassium salt; Potassium indoxyl sulfate; CCG-53133; 2642-37-7; AX8087438; AK-81568; ACM2642377; KS-000018CM; 3-Indoxyl sulfate, potassium salt; SR-01000642319-1; 567HMW942W; MFCD00037931; MolPort-000-141-472; SBB100973; ST24048980; 2355AB; LS-83683; 3-Indoxyl sulfate potassium salt; 3-Indolyl sulphate potassium salt; potassium ion indol-3-yl sulfate; AKOS024306954; Indol-3-ol, potassium sulfate; ANW-58467; DTXSID70181012; 3-hydroxyindol; I14-91729; TC-147212; AKOS016003133; Indol-3-yl sulfate, potassium salt; 1309597-66-7; Indol-3-yl potassium sulfate; Urinary indican; 4CH-021488; SCHEMBL10550536; C8H6KNO4S; indol-3-yl hydroxysulfonate, potassium salt; Indican (urinary); AC1NPD4O; 3-oC>>ussAssaAoEa(1/4)O; 1H-INDOL-3-YL POTASSIUM SULFATE; 1H-Indol-3-ol,3-(hydrogen sulfate), potassium salt (1:1); MLS001361369; 39026A; UNII-567HMW942W; EINECS 220-145-5; Potassium indol-3-yl sulphate; CTK8B7765; FT-0615879; potassium 1H-indol-3-yl sulfate; ST50307657; INDOL-3-OL, HYDROGEN SULFATE (ester), POTASSIUM SALT; CHEMBL1452061; Potassium indol-3-yl sulfate; I-6350; MDAWATNFDJIBBD-UHFFFAOYSA-M;ZINC04097614; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol; SMP2_000304; 487-60-5; Indican glucoside; (2S,3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol; C08481; 1328-73-0; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol;Indican, plant |
C14H17NO6 |
295.29g/mol |
C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058380 |
ISN |
Isatic acid lactam; 5-21-10-00221 (Beilstein Handbook Reference); InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11; Isotin; SMR000471835; BRN 0383659; 1H-Indole-2,3-dione; MLS001066355; 114618_ALDRICH; 2,3-Dioxoindoline; 2,3-Indolinedione; 91-56-5; AI3-03111; ZINC01532171; Indole-2,3-dione; Isatin; SBB009100; 5815-00-9; Isatinic acid anhydride; 2,3-Diketoindoline; EINECS 202-077-8; o-Aminobenzoylformic anhydride; CHEBI:27539; 58240_FLUKA; AIDS020002; Tribulin; Pseudoisatin; WLN: T56 BMVVJ; AIDS-020002; S00335a; NSC9262; 84788-92-1; Isatine; Indoline-2,3-dione; 2,3-Dioxo-2,3-dihydroindole; C11129; NSC 9262; 2,3-Ketoindoline;isatin;CHEMBL326294; Isotin; Isatin (Compound 1); MFCD00005718; BDBM11022; CAS-91-56-5; 1186480-61-4; MLS001066355; Isatin, for spectrophotometric det. of proline and thiophene, >=99.0%; AC-10666; 2,3-Indolinedione; 2,3-Dioxoindoline; 82X95S7M06; D0SP2O; DSSTox_GSID_38694; Isatin; JXDYKVIHCLTXOP-UHFFFAOYSA-N; SBB009100; HMS2267D18; BB_NC-2184; TRA-0176250; KB-52682; DTXSID3038694; Pseudoisatin; FT-0627212; FT-0728767; KS-00000DIU; Isatin, technical grade; S00335a; Isatine; 2,3-dihydro-1H-indole-2,3-dione; CJ-32724; 2,3-Dioxo-2,3-dihydroindole; 2,3-dihydroindole-2,3-dione; ANW-39708; AM20050218; 5-21-10-00221 (Beilstein Handbook Reference); M-6110; Z57127903; PubChem13609; SMR000471835; AN-24214; AC1Q6GQJ; A843979; D03NEO; 2,3-Indolinedione; Indole-2,3-dione; Isatin, 98% 100g; KSC487A3D; EINECS 202-077-8; CHEBI:27539; NSC-9262; Tribulin; 3-Hydroxy-2H-indol-2-one; CS-W020128; 3-Indolinedione; AK-29599; 3-hydroxy-2-indolone; WLN: T56 BMVVJ; Tox21_202876; SC-18090; FC0204; AKOS000119125; TR-028840; 84788-92-1; Indoline-2,3-dione; C11129; ST50213409; Isatic acid lactam; ZINC2047514; InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11; UNII-82X95S7M06; 2,3-Dihydro-indole-2,3-dione; I-7801; BRN 0383659; 1H-Indole-2,3-dione; 1H-benzo[d]azoline-2,3-dione; BBL002302; MolPort-000-871-222; ACMC-209rce; RP17346; 91-56-5; AI3-03111; DSSTox_RID_79385; Isatin, p.a.; 5815-00-9; LS21014; I0080; o-Aminobenzoylformic anhydride; CTK3I7031; BR-29599; I-7800; Indole-2,3-dione; 2,3-Indolinedione; 1H-Indole-2,3-dione; F9995-1662; NCGC00260422-01; AC1L1NWG; s4717; BG00600517; S10-0023; NSC9262; 2,3-Ketoindoline; DB02095; AB1002676; AJ-33433; INDOLE-2,3-DIONE; DSSTox_CID_18694; EC 202-077-8; LS-83004; hydroxy-3-indolone; NCGC00246983-01; 2,3-dihydro-1H-indol-2,3-dione; CJ-32725; MCULE-2273580482; Isatinic acid anhydride; EBD271; 2,3-Diketoindoline; 2H-indole-2,3-dione; RTR-028840; DB-061345; ST2413137; BC679623; AZ0001-0080; SCHEMBL34016; BG01498796; KB-236288; AS-10908; STK387523; NSC 9262 |
C8H5NO2 |
147.13 |
C1=CC=C2C(=C1)C(=O)C(=O)N2 |
|
TCMBANKIN058381 |
4-hydroxy-2-quinolinecarboxylic acid |
kynurenic acid; KYNA |
C10H7NO3 |
189.17 g/mol |
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O |
|
TCMBANKIN058390 |
tryptanthrine |
AC1L2K2A; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; HMS2271H05; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; SR-01000521538; J-006143; AX8156048; BDBM50240612; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; AC1L2K2A; indolo[2,1-b]quinazoline-6,12-quinone; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; tryptanthrin ; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; indolo[2,1- b]quinazoline alkaloid; HMS2271H05; indolo-[2,1-b]-quinazoline-6,12-dione; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; AIDS017287; SR-01000521538; J-006143; ZINC00033299; AX8156048; BDBM50240612; 6,12-dihydro-6, 12-dioxoindolo-(2,1-b)-quinazoline; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; AIDS-017287; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; tryptanthrin |
C15H8N2O2 |
248.24 g/mol |
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2 |
|
TCMBANKIN058394 |
coumarin |
KBio3_002764; HSDB 1623; coumari; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=CC(=O)O2 |
|
TCMBANKIN058396 |
Leukol |
Benzopyridine (VAN); Quinoline; EINECS 202-051-6; HSDB 121; Chinoleine; 20214-07-7; 2,3-Benzopyridine; Benzopyridine; NCIOpen2_007906; Chinolin [Czech]; CHEBI:17362; 15305_RIEDEL; Quinoline (8CI,9CI); Chinolin; NSC3396; Benzo(b)pyridine; B 500; WLN: T66 BNJ; InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7; AI3-01241; 241571_ALDRICH; ZINC01706876; CCRIS 547; 1-Benzazine; B-500; AIDS020530; AIDS-020530; Quinoline [UN2656] [Poison]; UN2656; Usaf ek-218; 91-22-5; Benzo[b]pyridine; FEMA No. 3470; NCGC00091190-01; Chinoline; Leucol; AE-641/01960007; W347000_ALDRICH; 1-Azanaphthalene; 1-Benzine; Q1255_ALDRICH; NSC 3396; Quinolin; C06413; quinoline |
C9H7N |
129.16 g/mol |
C1=CC=C2C(=C1)C=CC=N2 |
|
TCMBANKIN058401 |
Norharman |
244-63-3; BSPBio_002322; ZINC00066039; SMR000058207; KBio3_001542; BRN 0128414; Carbazoline; KBio2_001612; InChI=1/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13; 9H-beta-carboline; AIDS109050; 5-23-08-00220 (Beilstein Handbook Reference); norharman; Norharmane; EINECS 205-959-0; 9H-Pyrido[3,4-B]indole; Prestwick_363; NSC84417; AG-670/31510009; KBio2_006748; .beta.-Carboline; MLS000069651; Spectrum4_001915; Spectrum2_000588; AIDS-109050; Spectrum_001132; 9H-$b-carboline; SMP2_000349; NCIOpen2_001217; KBioSS_001612; 2,9-Diazafluorene; Spectrum5_000630; KBio2_004180; SDCCGMLS-0003278.P003; Carbazoline (VAN); 2-Azacarbazole; CCRIS 6915; ST5307983; Spectrum3_000741; SPBio_000436; NSC 84417; NCGC00021302-03; N6252_SIGMA; KBioGR_002537; WLN: T B656 EN HMJ;beta-carboline |
C11H8N2 |
168.19 |
C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 |
|
TCMBANKIN058421 |
2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile |
2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858; 2,3-dihydro-4-hydroxy-2-indole-3-acetonitrile;2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858 |
C10H8N2O2 |
188.18 g/mol |
C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O |
|
TCMBANKIN058422 |
americanol |
133838-65-0; 4-[(2R,3R)-2-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol; 1,2-Benzenediol, 4-((2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-((1E)-3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, rel-; 1,2-Benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-6-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,6(E))-; rel-(7'E)-(7alpha,8beta)-3,4,9,9'-tetrahydroxy-4',7-epoxy-8,3'-oxyneolign-7'-ene; rel-4-{(2R,3R)-3-(hydroxymethyl)-6-[(1E)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}benzene-1,2-diol; 1,2-benzenediol, 4-[(2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-[(1E)-3-hydroxy-1-propenyl]-1,4-benzodioxin-2-yl]-; InChI=1/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s; 4-[(2R,3R)-7-[(E)-3-hydroxyprop-1-enyl]-2-methylol-2,3-dihydro-1,4-benzodioxin-3-yl]pyrocatechol;americanol a;4-[3-Hydroxymethyl-6-(3-hydroxy-propenyl)-2,3-dihydro-benzo[1,4]dioxin-2-yl]-benzene-1,2-diol |
C18H18O6 |
330.33 g/mol |
C1=CC2=C(C=C1C=CCO)OC(C(O2)C3=CC(=C(C=C3)O)O)CO |
|
TCMBANKIN058425 |
serotonine |
AC1L1JTO; Oprea1_712368; KBio2_007608; Tryptamine, 5-hydroxy-; NCGC00142449-02; Ds substance; 6996AB; NCGC00015525-08; Bio2_000396; 14C-5-hydroxy tryptamine creatinine disulfate; KBioGR_002472; 6F7FD5B4-A558-45F0-A20A-2D068A3EFE6A; NCGC00015525-06; NCGC00142449-03; CHEMBL39; Prestwick1_000481; NCGC00015525-02; KBio3_000843; CH-132; ALBB-006183; FT-0631212; MolPort-001-779-633; BRN 0143524; 3-(.beta.-Aminoethyl)-5-hydroxyindole; PDSP1_001512; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; AX8011985; KBioGR_000452; 5-Hydroxytryptamine, free base; DTXSID8075330; NCGC00142449-04; KBio3_002950; Indol-5-ol, 3-(2-aminoethyl)-; Substanz DS; Antemovis; KBio2_000452; L000078; IDI1_002151; Prestwick0_000481; 5-Hydroxy-3-(beta-aminoethyl)indole; AC1Q54C0; serotonin; Prestwick2_000481; LS-83647; 5-Hydroxytryptamine, 5-HT, Enteramine; KBio2_002472; Hippophain; 5-hydroxy-tryptamine; KBio2_005588; Substance DS; SPBio_002262; 2-imino-1-methylimidazolidin-4-one; 3-(2-aminoethyl)-1H-indol-5-ol; bis(sulfuric acid); Biomol-NT_000083; BDBM10755; HMS3403H13; AKOS001484724; NCGC00015525-05; C-06146; HMS1362H13; 5-Hydroxytriptamine; API0006544; I14-1899; ZINC57058; HMS1990H13; Bio2_000876; KB-177045; A-Aminoethyl)-5-hydroxyindole, Thrombotonin; Thrombocytin; CC-21879; NCGC00015525-09; NCGC00142449-05; 3-(2-Aminoethyl)-1H-indol-5-ol #; Enteramine; KBioSS_002479; HMS1792H13; 5-Hydroxy-3-(.beta.-aminoethyl)indole; CAS-153-98-0; 5-Hta; STK503758; GTPL5; KBio3_000844; CTK4J2994; 5-22-12-00016 (Beilstein Handbook Reference); Thrombotonin; 5-hydroxyl tryptamine; AJ-09556; Serotonine; Thrombocytin, 3-(; Bio1_001428; BCBcMAP01_000198; cMAP_000059; EINECS 200-058-9; 5-Hydroxyltryptamine; K-9367; Hippophaine; 3-(beta-Aminoethyl)-5-hydroxyindole; DB-051820; 50-67-9; C00780; BPBio1_001079; Prestwick3_000481; BSPBio_001112; 5-Hydroxy-3-(b-aminoethyl)indole; 333DO1RDJY; SMP1_000272; MCULE-8788459983; Lopac0_000607; H-8000; AK115646; D0F6CD; NCGC00015525-07; 3-(b-Aminoethyl)-5-hydroxyindole; Lopac-H-9523; Bio1_000450; Antemoqua; 5-HYDROXYTRYPTAMINE; BPBio1_000377; TR-018115; Serotonin, analytical standard; KBio2_003020; 3-(2-Aminoethyl)indol-5-ol; STOCK1N-48365; KBioSS_000452; NCGC00142449-01; 3-(2-Aminoethyl)-1H-indol-5-ol; NCGC00015525-04; 1H-Indol-5-ol,3-(2-aminoethyl)-; 5-hydroxy tryptamine creatinine disulfate; 3-(2-Amino-ethyl)-1H-indol-5-ol; NCGC00015525-03; Enteramin; CCG-204696; bmse000757; QZAYGJVTTNCVMB-UHFFFAOYSA-N; CHEBI:28790; UNII-333DO1RDJY; BSPBio_000341; AN-41571; SCHEMBL1495; BG01504460; PDSP2_001496; Bio1_000939; 5-HT; NCGC00015525-01; FCH832159; BG00601775;Serotonin;AIDS-166243; Indol-5-ol, 3-(2-aminoethyl)-; 5-Hydroxytryptamine; Oprea1_712368; KBio2_007608; Substanz DS; Antemovis; Lopac-H-9523; Thrombocytin; Bio1_000450; Antemoqua; KBio2_000452; Tryptamine, 5-hydroxy-; IDI1_002151; Prestwick0_000481; BPBio1_000377; 5-Hydroxy-3-(beta-aminoethyl)indole; Ds substance; Enteramine; AIDS166243; KBio2_003020; KBioSS_002479; 3-(2-Aminoethyl)indol-5-ol; serotonin; Prestwick2_000481; Bio2_000396; NCGC00142449-01; KBioGR_002472; KBioSS_000452; 3-(2-Aminoethyl)-1H-indol-5-ol; 5-Hta; CAS-153-98-0; KBio2_002472; KBio3_000844; 5-22-12-00016 (Beilstein Handbook Reference); Hippophain; Thrombotonin; NCGC00142449-03; Serotonine; KBio2_005588; Substance DS; Prestwick1_000481; SPBio_002262; NCGC00015525-02; Biomol-NT_000083; KBio3_000843; CHEBI:28790; BSPBio_000341; Bio1_001428; cMAP_000059; BCBcMAP01_000198; EINECS 200-058-9; BB_NC-1185; BRN 0143524; PDSP1_001512; 3-(beta-Aminoethyl)-5-hydroxyindole; PDSP2_001496; 50-67-9; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; C00780; BPBio1_001079; Bio1_000939; Prestwick3_000481; NCGC00015525-01; KBioGR_000452; Bio2_000876; BSPBio_001112; SMP1_000272; Lopac0_000607; NCGC00142449-04; KBio3_002950 |
C10H12N2O |
176.21 g/mol |
C1=CC2=C(C=C1O)C(=CN2)CCN |
|
TCMBANKIN058433 |
2- Minaline |
2-minaline; 634-97-9; Pyrrole-2-carboxylic acid; AC-907/25014066; 1H-Pyrrole-2-carboxylic acid (9CI); 1H-Pyrrole-2-carboxylic acid; 83235_FLUKA; EINECS 211-221-9; AIDS-019601; CHEBI:36751; NSC48130; 2-Pyrrolecarboxylic acid; 83237_FLUKA; P73609_ALDRICH; SBB004332; 2-Minaline; C05942; Minalin; AIDS019601; NSC 48130; Minaline; PYC |
C5H5NO2 |
111.1 g/mol |
C1=CNC(=C1)C(=O)O |
|
TCMBANKIN058455 |
GUN |
NCI60_012450; CHEBI:16235; 15986-36-4; nchembio.2007.33-comp3; 2-amino-1,9-dihydro-6H-purin-6-one; Hypoxanthine, 2-amino-; 2-Amino-1,9-dihydro-purin-6-one; Mearlmaid AA; EINECS 200-799-8; HSDB 2127; ZINC00895129; C.I. 75170; C.I. Natural White 1; InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11; ST5298917; Guanin; Dew Pearl; BB_NC-1199; 6-Hydroxy-2-aminopurine; 11006-44-3; G6779_SIGMA; C00242; Guanine (8CI); 6H-Purin-6-one, 2-amino-1,7-dihydro-; 73-40-5; Oprea1_875298; AIDS045523; Natural pearl essence; 2-Amino-1,7-dihydro-6H-purin-6-one; SBB004065; GUANINE; 6H-Purin-6-one, 2-amino-1,7-dihydro- (9CI); 2-Amino-6-purinol; 492-33-1; 54435-87-9; Stella Polaris; AIDS-045523; AI3-24393; 2-amino-3,7-dihydropurin-6-one; 2-Aminohypoxanthine; CI Natural white 1; Guanine-8-14C hydrochloride; CI 75170; 2-Amino-6-hydroxy-1H-purine; Natural white 1; G1147_SIGMA; 69257-39-2; 8039-79-0; Guanine enol; Pathocidin; Pearl essence; 2-Amino-6-hydroxypurine; G11950_ALDRICH; ST5298926; Mearlmaid; 6H-purin-6-one, 2-amino-3,7-dihydro-; 37432-34-1; 2-Amino-4H-purin-6-ol; AKOS027419119; 2-amino-1H-purin-6(4H)-one; 6H-Purin-6-one, 2-amino-1,4-dihydro-; 914452-02-1; TC-125087; AK466185; KB-167027 |
C5H5N5O |
151.13 g/mol |
C1=NC2=C(N1)C(=O)NC(=N2)N |
|
TCMBANKIN058456 |
XAN |
xanthine;69-89-6; Xanthine-2-14C; nchembio.2007.33-comp41; 2,6-Dioxo-1,2,3,6-tetrahydropurine; 9H-Purine-2,6-diol; Oprea1_474175; X7375_SIGMA; 2,6(1,3)-Purinedion; XANTHINE; Xanthine (VAN) (8CI); 3,9-Dihydro-purine-2,6-dione; 9H-xanthine; Purine-2,6-(1H,3H)-dione; AI3-52268; AIDS097636; AIDS-045525; 1H-Purine-2,6-diol; ZINC04261793; Pseudoxanthine; SBB004054; Xanthin; 33669-67-9; CHEBI:17712; 42911-15-9; AIDS045525; Purine-2(3H),6(1H)-dione; 2-Oxohypoxanthine; 28522-58-9; 16819-86-6; Isoxanthine; USAF CB-17; NCGC00164338-01; 3,7-dihydropurine-2,6-dione; 6053-41-4; 1-H-purine-2,6-dione, 3,7-dihydro(9CI); SDCCGMLS-0065805.P001; 7H-xanthine; 6050-36-8; 9H-Purine-2,6(1H,3H)-dione; 2,6-dioxopurine; X0626_SIGMA; 3,7-Dihydro-1H-purine-2,6-dione; EINECS 200-718-6; EPA Pesticide Chemical Code 116900; 1H-Purine-2,6-dione, 3,7-dihydro-; Xanthic oxide; 3,9-dihydro-1H-purine-2,6-dione; MolMap_000070; X4002_SIGMA; NSC 14664; 9H-Purine-2,6-(1H,3H)-dione; AIDS-097636; ARONIS008606; NSC14664; Purine-2,6-diol; C00385; CCRIS 994; X1751_SIGMA; ZINC00895213; Purine-2,6(1H,3H)-dione |
C5H4N4O2 |
152.11 g/mol |
C1=NC2=C(N1)C(=O)NC(=O)N2 |
|
TCMBANKIN058461 |
URC |
Uric acid (8CI); U2625_SIGMA; NSC 3975; 7H-purine-2,6,8-triol; AI3-15432; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI); nchembio768-comp1; 1H-Purine-2,6,8-triol; ST5298833; 69-93-2; 34318-07-5; trioxopurine; 42911-25-1; Lithic acid; CHEBI:46814; purine-2,6,8-(1H,3H,9H)-trione; C00366; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 33278-42-1; CHEBI:46811; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; 9H-purine-2,6,8-triol; ZINC00895200; 530-13-2; InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12; uric acid; ST5406901; 2,6,8-trioxypurine; 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine; AIDS023028; 13154-20-6; CHEBI:17775; Purine-2,6,8(1H,3H,9H)-trione; 7,9-dihydro-3H-purine-2,6,8-trione; NSC3975; 42911-28-4; CHEBI:46823; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; AIDS-023028; URATE; 2,6,8-Trioxopurine; 2,6,8-trihydroxypurine; EINECS 200-720-7; 8-hydroxyxanthine; 42911-27-3; U0881_SIGMA; CHEBI:46817 |
C5H4N4O3 |
168.11 |
C12=C(NC(=O)N1)NC(=O)NC2=O |
|
TCMBANKIN058463 |
Codopiloic acid |
codopiloic acid; codopiloicacid; 136945-75-0; 2H-1,4-oxazine-3-carboxylic acid |
C5H5NO3 |
127.1 |
C1C(=NC=CO1)C(=O)O |
|
TCMBANKIN058467 |
Hinokinin |
Cubebinolide; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranone; CTK1F0599; 2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-; hinokinin; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-; (+)-Hinokinin; DDWGQGZPYDSYEL-CABCVRRESA-N; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one; CHEMBL180970; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4S)-; 3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydro-2(3H)-furanone #; 580-73-4; 26543-89-5; DTXSID40451491; (3S,4S)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-ONE; C10627; ZINC900115; SCHEMBL14064757 |
C20H18O6 |
354.35g/mol |
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
TCMBANKIN058470 |
NOJ |
19130-96-2; AIDS-000139; Bio1_001393; BSPBio_000993; 1-DEOXYNOJIRIMYCIN; DNM; Bio1_000415; NCGC00025085-02; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-; Bio1_000904; 1-Deoxymannojirimycin; 1,5-Dideoxy-1,5-imino-D-glucitol; (2R,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol; (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol; AIDS000139; SMP2_000333; 70956-02-4; 1,5-Deoxy-1,5-imino-D-mannitol; 73285-50-4 (HCL); (2R,3R,4R,5S)-2-methylolpiperidine-3,4,5-triol; 1-DEOXY-NOJIRIMYCIN; DNJ; 3gbe; 2jke; 3gxt; 2pwd; 1- deoxynojirimycin; 1-deoxynojirimycin; 3qfz; 4iid; 1-deoxynojirimycin; 1-deoxynojirimicin |
C6H13NO4 |
163.17 g/mol |
C1C(C(C(C(N1)CO)O)O)O |
|
TCMBANKIN058473 |
L-arabinose |
l-arabinose;arabinose;ARA;Arabinose;(2R,3R,4S,5S)-oxane-2,3,4,5-tetrol; (2R,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol; ZINC01532575; CHEBI:46987; alpha-L-arabinopyranose; C02479; beta-L-Arabinose |
C5H10O5 |
150.13 g/mol |
C1C(C(C(C(O1)O)O)O)O |
|
TCMBANKIN058475 |
quercetin 3-O-arabinoside |
|
C20H18O11 |
434.3 g/mol |
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
|
TCMBANKIN058486 |
Heriguard |
Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid |
C16H18O9 |
354.31g/mol |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
|
TCMBANKIN058488 |
4,5-Di-O-caffeoylquinic acid |
AIDS028063; 3,4-DCQA; 3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid; (4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid; 4,5-DCQA; (1R,3R,4S,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid; AIDS-028061; AIDS028061; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; 4,5-di-O-caffeoyl quinic acid; AIDS-028063; 4,5-di-O-caffeoylquinic acid; ACon1_000313;3,4-di-o-caffeoylquinic acid;Isochlorogenic acid C;3,4-di-O-caffeoyl quinic acid; 3,4-di-o-caffeoylquinicacid; 3,4-di-O-caffeoylquinic acid;isochlorogenic acid C |
C25H24O12 |
516.45 |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN058489 |
3-O-p-coumaroylquinic acid |
5-p-trans-coumaroylquinicacid |
C16H18O8 |
338.31 g/mol |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
|
TCMBANKIN058490 |
1,4-di-o-caffeoylquinic acid;1,4-dicaffeoylquinic acid |
1,4-di-O-caffeoylquinic acid; 1,4-di-o-caffeoylquinicacid |
C25H24O12 |
516.4 g/mol |
C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN058491 |
1,5- two coffee acid; |
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1S,3R,4R,5R)-1,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4,5-dihydroxy-1-cyclohexanecarboxylic acid; AIDS-044737; 1,5-di-o-caffeoylquinic acid; 1,5- di- O- caffeoylquinic acid; 1,5-DCQA; (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid; AIDS044737; 1,5-di-O-caffeoylquinic acid;(1R,3R,4S,5R)-1,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4,5-dihydroxy-1-cyclohexanecarboxylic acid; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; 30964-13-7; Dicaffeoylquinic acid; AIDS-008522; AIDS008522; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4,5-dihydroxy-cyclohexane-1-carboxylic acid; (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid; 1,5-Dicaffeoylqunic acid; Cyclohexanecarboxylic acid, 1,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,5-dihydroxy-; C10445; 1,3-di-O-Caffeoylquinic acid; 1,3-Dicaffeoylquinic acid;1,5-di-O-Caffeoylquinic acid;Cynrin;1,3-di-O-caffeoylquinic acid;1,3-dicaffeoylquinic acid;cynarin;Cynarin€ |
C25H24O12 |
516.45 |
C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN058493 |
(?)-cubebin |
18423-69-3; (-)-Cubebin; AI3-62265; (3R,4R)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-OL; SCHEMBL12857446; BG01069891; 1242843-00-0; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Tetrahydro-3,4-dipiperonylfuran-2-ol; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; Cubebine; AKOS000276832; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)-; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; rac-Cubebin; AIDS-002469; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranol; .beta.-Cubebin; cubebin; C10549; CHEMBL3752996; EINECS 242-300-6; AIDS002469; 2-Furanol, tetrahydro-3,4-dipiperonyl-; Cubebin; (- )-cubebin |
C20H20O6 |
356.4 g/mol |
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
TCMBANKIN058499 |
2-deoxy-d-ribono-1,4-lactone |
AKOS022184490; CHEMBL98888; (4S,5R)-4-Hydroxy-5-(hydroxymethyl)dihydro-2(3H)-furanone; Deoxyribonolactone; ZINC4095906; DS-18636; 2-Deoxy-D-ribonic-1,4-lactone; 2,4,5-Trihydroxypentanoic acid gamma-lactone; MolPort-044-811-631; MolPort-028-959-565; 2-deoxy-D-erythro-pentonic acid gamma-lactone; 371D147; 2-deoxyribono-1,4-lactone; KS-0000054H; 2-Deoxy-D-ribonic acid-1,4-lactone; CTK8F4238; AC1L4Q4T; AJ-47976; CHEBI:17281; 819081-95-3; 2-Deoxy-ribono-1,4-lactone; 73209-20-8; 2-Deoxyribonolactone; AK-98144; (4s,5r)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3h)-one(non-preferred name); (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one; FCH3768656; 34371-14-7; K-7845; (4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one; BG01497364; FT-0773511; PubChem20488; 2'-Deoxyribolactone; AC1Q2AOY; YIXDEYPPAGPYDP-IUYQGCFVSA-N; 2-Deoxy-D-ribono-1,4-lactone, >=95% (GC); SCHEMBL3394583; ACN-040698; C02674; MFCD15144952; W-202407; D-erythro-Pentonic acid, 2-deoxy-, gamma-lactone; 2-deoxy-D-ribono-1,4-lactone;Deoxyribonolactone |
C5H8O4 |
132.11 g/mol |
C1C(C(OC1=O)CO)O |
|
TCMBANKIN058511 |
proanthocyanidin b2 |
29106-49-8; AC1L3V5O; EC-(4b,8)-EC; SC-83395; Procyanidol B2; (+)-Procyanidin B2; CS-5982; (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; AK554017; (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; Procyanidin dimer B2; (-)-Epicatechin-(4.beta.-8)-(-)-epicatechin; X1213; XFZJEEAOWLFHDH-NFJBMHMQSA-N; N2517; L88HKE854X; LMPK12030002; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; NSC 623097; Procyanidin B2; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin B-2; Ambap29106-49-8; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; C17639; J-017393; Proanthocyanidin B2; ZINC26490614; Procyanidin B2, analytical standard; cis,cis""-4,8""-Bi(3,3',4',5,7-pentahydroxyflavane); (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-; CHEMBL38714; Epicathechin-(4beta->8)-epicathechin; (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; FT-0686683; SCHEMBL288579; 2,3-cis-proanthocyanidin; C30H26O12; AC1Q7ABR; MFCD01861513; UNII-L88HKE854X; AKOS008901339; MolPort-003-932-480; CHEBI:75632; HY-N0796; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; X1212; EBD2184995; Procyanidin-B2; (2r,2'r,3r,3'r,4r)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2h,2'h-4,8'-bichromen-3,3',5,5',7,7'-hexol; Epicatechin(4b->8)catechin; SCHEMBL676745; (4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol; Q-100247; Procyanidin dimer B1; 20315-25-7; (2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; AKOS030530133; Epicatechin-(4beta->8)-ent-epicatechin; procyanidin b1; LMPK12030001; Proanthocyanidin B1; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol; ZINC26490620; EC-(4b,8)-C; HY-N0795; BG01789588; (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-4-[(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-YL]-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; cis,trans′′-4,8′′-Bi-(3,3′,4′,5,7-Pentahydroxyflavane); Endotelon; CHEBI:75633; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 19542_FLUKA; AK554016; Procyanidol oligomer; CS-5955; UNII-0566J48E7X; Procyanidin-B1; 4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane); Ambap20315-25-7; Epicatechin(4beta->8)catechin; cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane); (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol; 0566J48E7X; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; CHEMBL504937; (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; XFZJEEAOWLFHDH-UKWJTHFESA-N; Procyanidin B1, analytical standard; MFCD01861512; C30H26O12; V0244; MolPort-003-927-506; cis,trans inverted exclamation marka inverted exclamation marka-4,8 inverted exclamation marka inverted exclamation marka-Bi-(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane); FT-0686682; Procyanidin B; Procyanidin B1; proanthocyanidin b1 |
C30H26O12 |
578.5 g/mol |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
|
TCMBANKIN058514 |
Cinchonain 1a |
85081-24-9; cinchonain Ib; CHEMBL251476; SCHEMBL1769333; CHEBI:3702; Cinchonain 1a; (2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one; DTXSID40331901; LMPK12020084; C10217; AC1L9D7B; 85081-24-9; (2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[6,5-h]chromen-8-one; C10217; cinchonain ib |
C24H20O9 |
452.4 g/mol |
C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O |
|
TCMBANKIN058519 |
(-)-epigallocatechin-3-gallate; (-)-epigallocatechin 3-o-gallate;epigallocatechin gallate; galloyl-l-epigallocatechol; epigallocatechin 3-gallate; (-)-epigallocatechin gallate; |
KBio2_000796; SpecPlus_000277; 50299_FLUKA; Spectrum3_000244; KBioGR_002002; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester; MLS000758300; DivK1c_006373; (−)-Epigallocatechin gallate; EGCG; SPBio_000035; (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; KBioSS_000796; Epigallocatechin gallate; Spectrum4_001541; (-)-epigallocatechin 3-gallate; Tea catechin; AIDS000674; KBio2_005932; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester; KBio1_001317; 989-51-5; AIDS-000674; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); KBio2_003364; Galloyl-L-epigallocatechol; SDCCGMLS-0066550.P001; (-)-Epigallocatechol gallate; ACon1_001054; Spectrum5_000102; Green tea extract; MEGxp0_001166; C09731; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; (-)-Epigallocatechin gallate; CCRIS 3729; Teavigo; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Spectrum2_000168; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxy-flavane-3-gallate; CHEBI:4806; (-)-epigallocatechin-3-gallate ; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; SPECTRUM210239; E4143_SIAL; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; Spectrum_000316; (-)-EGCG; KBio3_001128; BSPBio_001628; Epigallocatechol, 3-gallate, (-)-; Epigallocatechin-3-gallate; E4268_SIAL; epigallocatechin gallate ; epigallocatechin-3-gallate; (-)epigallocatechin-3-gallate ; EGCG; 989E515; [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate; HMS2051K21; CS-1258; AC1L22IG; AK165605; Green tea polyphenols, Anagen; (-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard; AKOS015918182; CAS-989-51-5; Epigallocatechin gallate, primary pharmaceutical reference standard; W-5069; (-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate; (-)-Epigallocatechin gallate, analytical standard; Q-100914; DSSTox_RID_78830; AN-15867; DSSTox_GSID_29889; (-)-Epigallocatechol gallate; FT-0604392; NCGC00164319-04; Green tea extract; MEGxp0_001166; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; N1874; CHEBI:4806; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; BG00814299; HMS3649E08; D0E9DB; Epigallocatechol, 3-gallate, (-)-; (-)-EpigallocatechinGallateHydrate; Epigallocatechin-3-gallate; AB0014381; BQM438CTEL; NC00078; ST51055716; Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material; SpecPlus_000277; Spectrum3_000244; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate; MLS000758300; (-)-Epigallocatechin gallate (EGCG); CCG-38378; Gallic acid, 3-ester with epigallocatechol, (-)-; SR-01000946601-1; NCGC00164319-01; (-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate; NCGC00164319-06; DSSTox_CID_567; MCULE-3341525983; Epigallocatechin monogallate, B; Tox21_303457; SAM001247031; 4awm; K791; 989-51-5; SR-01000946601; MFCD00075940; EGCG analogs; Galloyl-L-epigallocatechol; NCGC00164319-03; (-)-Epigallocatechin gallate, >=80% (HPLC), from green tea; Spectrum5_000102; CPD000449288; (-)-Epigallocatechin gallate; LMPK12030005; E0694; Teavigo; Epigallocatechin gallate analogs, Anagen; Epigallocatechin-3-monogallate; ACN-035233; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; Sunphenon; Epigallocatechin gallate(EGCG); s2250; PF-EGCg 90; 3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzoic acid (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; MLS001424000; (-)-EGCG; ZINC3870412; KBio2_000796; EGCG cpd; KBioGR_002002; Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-; EGCG, Anagen; NCGC00257243-01; Tox21_201468; L-Epigallocatechin gallate; cid_65064; SPBio_000035; BG01747388; Epigallocatechin gallate; KBioSS_000796; Spectrum4_001541; (-)-epigallocatechin 3-gallate; DB12116; EPIGALOCATECHIN GALLATE; ANTIOXIDANT MODEL (TRAMP) -EPIGALLOCATECHIN GALLATE; KBio2_005932; I14-7747; D0U2BH; MCULE-7760530136; 2kdh; Epigallocatechin gallate, Anagen; AOB2839; SDCCGMLS-0066550.P001; 863-65-0; FR-109; ST097428; ACon1_001054; LS-2197; CCRIS 3729; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Epigallocate; GTPL7002; BDBM50070942; C22H18O11; GTPs,Anagen; SCHEMBL35258; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate; MolPort-001-741-358; DivK1c_006373; KB-206444; SR-01000759328; Teavigo;; EGCG; (-)-EPIGALLOCATECHIN GALLATE (GREEN TEA EXTRACT); HY-13653; (-)-Epigallocatechin gallate, >=95%; NCGC00259019-01; Tea catechin; DS-9030; SR-01000759328-6; SR-01000759328-5; KDH; AC1Q5X0Z; KBio1_001317; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxyb enzoate; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); NVP-XAA 723; KBio2_003364; EBD2138593; FT-0082796; NCGC00164319-02; C09731; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; UNII-BQM438CTEL; DTXSID1029889; WMBWREPUVVBILR-WIYYLYMNSA-N; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epigallocatehin gallate; Spectrum2_000168; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; (-)-Epigallocatechin gallat; SPECTRUM210239; Epigallocic acid; Epigallocatcchin Gallate; KS-0000132O; BP-30205; CHEMBL297453; SC-47284; Spectrum_000316; 3oob; (-)-Epigallocatechin gallate, >=97.0% (HPLC); KBio3_001128; BSPBio_001628; epigallo-catechin gallate |
C22H18O11 |
458.4g/mol |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
TCMBANKIN058526 |
(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-benzofuran-2-one |
(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one; 2(6H)-benzofuranone, 7,7a-dihydro-6-hydroxy-, (6R,7aR)-; rel-(6R,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one; InChI=1/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7+/m0/s;67765-59-7; 2(6H)-Benzofuranone, 7,7a-dihydro-6-hydroxy-, (6S,7aR)-; (6S,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one |
C8H8O3 |
152.15 g/mol |
C1C(C=CC2=CC(=O)OC21)O |
|
TCMBANKIN058534 |
6-Hydroxynaringenin |
4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (S)-; 479-54-9; Flavanone, 4',5,6,7-tetrahydroxy-; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; SCHEMBL476289; LMPK12140618; Carthamidin; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Ambotz529-53-3; carthamidin |
C15H12O6 |
288.25 g/mol |
C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O |
|
TCMBANKIN058553 |
Tropyliden |
EINECS 208-866-3; 1,3,5-CYCLOHEPTATRIENE; Tropiliden; Cycloheptatriene; 544-25-2; Cycloheptatriene [UN2603] [Flammable liquid]; C99205_ALDRICH; Cycloheptatrien; CHEBI:37519; 28858_FLUKA; Tropilidene; 1H-[7]annulene; cyclohepta-1,2,4,6-tetraene; InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H; cyclohepta-1,3,5-triene; UN2603; Zykloheptatrien; Tropilidine; ACMC-1ALO0; LS-56137; FT-0606497; UN 2603; EINECS 208-866-3; 1,3,5-CYCLOHEPTATRIENE; AN-45795; TC-020332; W-109559; Cycloheptatriene [UN2603] [Flammable liquid]; Tropyliden; ANW-32075; AJ-33013; ZINC2034827; AK115870; SBB061185; ST51047237; Tropiliden; Cycloheptatriene; AKOS000121113; 544-25-2; ST24030275; KB-49191; cyclohepta-2,4,6-trien-1-yl; MFCD00004146; CJ-31936; STL373480; BBL027452; MCULE-6950733657; Cycloheptatriene [UN2603] [Flammable liquid]; AC1L1WET; 48854-EP2272537A2; 7866AB; 48854-EP2311841A1; Cycloheptatrien; Cycloheptatriene, 95%; CHEBI:37519; 1,3,5-Cycioheptatriene; A830174; Tropilidene; DTXSID5073909; 1H-[7]annulene; I14-8226; Cyclohepta-1,3,5-triene; BB_SC-6674; DB-052570; InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H; CTK1C4731; Tropilidin; UN2603; Zykloheptatrien; (1,3-Cycloheptadiene-5,6-diyl)radical; Tropilidine; BG00599827; CHVJITGCYZJHLR-UHFFFAOYSA-N; MolPort-001-787-047 |
C7H8 |
92.14 g/mol |
C1C=CC=CC=C1 |
|
TCMBANKIN058554 |
Inden |
InChI=1/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H; EINECS 202-393-6; CHEBI:33052; Indenyl radical; ST5214452; CHEBI:41921; 193828_ALDRICH; WLN: L56 BHJ; 95-13-6; 9003-64-9; 71551-80-9; 168769_ALDRICH; NSC62567; Indonaphthene; 1H-Indene; NSC 9270; I2800_ALDRICH; 1H-inden-1-ylidene; Indene; NSC9270; HSDB 5286; indene |
C9H8 |
116.16 g/mol |
C1C=CC2=CC=CC=C21 |
|
TCMBANKIN058567 |
(- )-asarinin |
L-asarinin;ZINC05223929;5-[(1R,3aS,4S,6aS)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; ZINC03874953; NCGC00142464-01 |
C20H18O6 |
354.4 g/mol |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
|
TCMBANKIN058574 |
(?)-regiolone |
(4r)-4,8-dihydroxy-α-tetralone |
C10H10O3 |
178.18 g/mol |
C1CC(=O)C2=C(C1O)C=CC=C2O |
|
TCMBANKIN058580 |
pyroglutamicacid |
pyroglutamic acid; InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9; EINECS 202-700-3; C02238; Pyroglutamic acid; PYRROLIDONE-5-CARBOXYLIC ACID; 16891-48-8; Proline, 5-oxo-, L-; P5960_SIGMA; L-5-Oxo-2-pyrrolidinecarboxylic acid; CHEBI:18183; (2S)-5-oxopyrrolidine-2-carboxylic acid; 2-L-Pyrrolidone-5-carboxylic acid; (S)-PYROGLUTAMIC ACID; NSC9966; AJIDEW A-100; GLUTIMIC ACID; P75202_ALDRICH; GLUTIMINIC ACID; 83160_FLUKA; 35255-51-7; L-PYRROLIDONECARBOXYLIC ACID; (S)-(−)-2-Pyrrolidone-5-carboxylic acid; 5-OXO-2-PYRROLIDINECARBOXYLIC ACID; Acide pidolique [INN-French]; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (-)-2-Pyrrolidone-5-carboxylic acid; (2S)-5-oxo-2-pyrrolidinecarboxylic acid; L-5-Carboxy-2-pyrrolidinone; 2-Benzothiazolesulfenic acid morpholide; 5-Pyrrolidinone-2-carboxylic acid; NCGC00160613-01; Pyroglutamate; NSC 9966; 5-Carboxy-2-pyrrolidinone; 2-Pyrrolidinone-5-carboxylic acid; Proline, 5-oxo-; NSC 143034; 6886-28-8; L-GLUTIMINIC ACID; 498-91-9; NSC11742; EINECS 223-735-0; SBB004232; 29222-42-2; PYRROLIDINONECARBOXYLIC ACID; Pidolic acid; 2-Pyrrolidone-5-carboxylate; L-Proline, 5-oxo-; 5-Pyrrolidone-2-carboxylic acid; OXOPROLINE; Acidum pidolicum [INN-Latin]; C01879; 5-Oxoproline; Pidolic acid [INN]; Pyrrolidonecarboxylic acid; PYROGLUTAMIC ACID, (L); 2-PYRROLIDONE-5-CARBOXYLIC ACID (L); 2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; 87430-62-4; L-PYRROLIDINONECARBOXYLIC ACID; L-Glutamic acid gamma-lactam; nchembio756-comp7; (5S)-2-Oxopyrrolidine-5-carboxylic acid; L-5-Oxoproline; L-2-PYRROLIDONE-5-CARBOXYLIC ACID; Acido pidolico [INN-Spanish]; L-GLUTIMIC ACID; 2-Pyrrolidone-5-carboxylic acid; Pca |
C5H7NO3 |
129.11 g/mol |
C1CC(=O)NC1C(=O)O |
|
TCMBANKIN058581 |
GBL |
1,4-Lactone; 2-tetrahydrofuranone; Gamma-Lactone 4-hydroxy-butyric acid; CHEBI:42639; B103608_ALDRICH; Butyric acid lactone; gamma-Hydroxybutyric acid cyclic ester; 4-Hydroxybutanoic acid, .gamma.-lactone; oxolan-2-one; 1,4-Butyrolactone; .gamma.-6480; .gamma.-Hydroxybutyric acid lactone; gamma-Hydroxybutyric acid lactone; Butanoic acid, 4-hydroxy-, .gamma.-lactone; ZINC04658567; Butyryl lactone; gamma-Butyrolactone (natural); gamma-6480; 4-Deoxytetronic acid; NSC4592; 2-Oxolanone; .gamma.-Butyrolactone; HSDB 4290; .gamma.-BL; 187997-16-6; NCI-C55878; EINECS 202-509-5; 4-Hydroxybutyric acid, .gamma.-lactone; 4-Butanolide; 4-Butyrolactone; AI3-28121; gamma-BL; tetrahydrofuran-2-one; Tetrahydro-2-furanone; NSC 4592; CCRIS 2924; EPA Pesticide Chemical Code 122303; Caswell No. 132B; FEMA No. 3291; Gamma-Lactone 4-hydroxybutanoic acid; Butyrylactone; 4-Hydroxybutanoic acid lactone; C-1070; 2(3H)-Furanone, dihydro-; C01770; 1,2-Butanolide; 3-Hydroxybutyric acid lactone; 4-Hydroxybutyric acid lactone; No Go; Dihydro-2-furanone; 1,4-Butanolide; .gamma.-Hydroxybutyric acid cyclic ester; Gamma-Butanolactone; gamma-Hydroxybutyrolactone; InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H; Gamma-Lactone 4-hydroxybutyric acid; .alpha.-Butyrolactone; c0033; Dihyro-2-furanone; .gamma.-Hydroxybutyrolactone; W329118_ALDRICH; BLO; Butyric acid, 4-hydroxy-, gamma-lactone; Agrisynth BLO; Butanoic acid, 4-hydroxy-, gamma-lactone; Gamma-Lactone 4-hydroxy-butanoic acid; dihydrofuran-2(3H)-one; 96-48-0; Alpha-Butyrolactone; Dihydro-2(3H)-furanone; BLON; Butyrolactone; WLN: T5OVTJ; Butyric acid, 4-hydroxy-, .gamma.-lactone; 2-Oxotetrahydrofuran; LS-2010; BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE; gamma-Butyrolactone; 1-Oxacyclopentane-2-one; γ- Butyrolactone; Butyrolactone |
C4H6O2 |
86.09 |
C1CC(=O)OC1 |
|
TCMBANKIN058584 |
rengyolone |
rengynic acid;2-(1,4-dihydroxycyclohexanyl)-aceticacid |
C8H14O4 |
174.19 g/mol |
C1CC(CCC1O)(CC(=O)O)O |
|
TCMBANKIN058586 |
Prolinum |
(-)-Proline (S)-2-Carboxypyrrolidine; 18875-45-1; (2S)-2-pyrrolidinecarboxylic acid; P5607_SIGMA; L-Proline-15N; AIDS018625; 4305-67-3; L-Proline, labeled with carbon-14; L-Proline (JAN); L-(-)-Proline; CHEBI:17203; 37159-97-0; Carboxypyrrolidine; P0380_SIAL; (-)-(S)-Proline; Proline (USP); D00035; NCGC00014017; W331902_ALDRICH; (2S)-pyrrolidine-2-carboxylic acid; (S)-pyrrolidine-2-carboxylic acid; L-Prolin; NSC-97923; P8865_SIAL; nchembio816-comp9; AIDS-018625; L-(2,3-3H)Proline; C00148; 4607-28-7; 81710_FLUKA; (2S)-proline; 608998_ALDRICH; 81709_FLUKA; proline |
C5H9NO2 |
115.13 g/mol |
C1CC(NC1)C(=O)O |
|
TCMBANKIN058588 |
coixan C |
coixan A |
C17H18FN3O3 |
|
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O |
|
TCMBANKIN058595 |
3-oxiranyl-7-oxabicyclo[4.1.0]heptane |
7-Oxabicyclo[ 4.1.0] heptane, 3-oxiranyl- |
C8H12O2 |
140.18 |
C1CC2C(O2)CC1C3CO3 |
|
TCMBANKIN058607 |
Stilon |
168214-28-6; Hexanone isoxime; NSC 117393; AIDS018627; AI3-14515; Hexahydro-2-azepinone; NSC25536; 2953-03-9; Caprolattame; C2204_ALDRICH; Aminocaproic lactam; 2-Azepinone, hexahydro-, (Z)-; Hexanonisoxim [German]; Kapromine; AIDS-018627; HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM; E-caprolactum; NSC117393; azepan-2-one; gamma-caprolactam; 2-Azacycloheptanone; 2H-Azepin-7-one, hexahydro-; Caprolactam; 2-Ketohexamethylenimine; Caprolattame [French]; 32838-21-4; c0432; 240591_ALDRICH; EINECS 203-313-2; BRN 0106934; CHEBI:28579; NCI-C50646; W423501_ALDRICH; 6-Caprolactam; 2-Perhydroazepinone; Cyclohexanone iso-oxime; 34876-18-1; Kaprolaktam; ZINC00394707; e-Kaprolaktam; hexannic acid; cis-Hexahydro-2-azepinone; A1030; Caprolactam solution; .omega.-Caprolactam; Hexahydro-2H-azepin-2-one (9CI); epsilon-Caprolactam; WLN: T7MVTJ; 117955-36-9; InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8; 2-Oxohexamethyleneimine; 105-60-2; Caprolactam monomer; Hexanonisoxim; CM3900000; 2-ketohexamethyleneimine; 6-Aminocaproic acid lactam; Hexanolactam; 21500_FLUKA; NSC4977; Hexahydro-2H-azepin-2-one; Hexanoic acid, 6-amino-, cyclic lactam; e-Kaprolaktam [Czech]; 6-Aminohexanoic acid cyclic lactam; 1,6-Hexalactam; CCRIS 119; .epsilon.-Caprolactam; Epsylon kaprolaktam [Polish]; 1-Aza-2-cycloheptanone; Caprolactam dust and vapor; 1,6-Hexolactam; Perhydroazepin-2-one; Aza-2-cycloheptanone; ST5308104; 2-azepanone; Capron PK4; Extrom 6N; HSDB 187; 2H-Azepin-2-one, hexahydro-; 6-Hexanelactam; hexanoic acid-6-amino-,lactam; Hexamethylenimine, 2-oxo-; 2-Oxohexamethylenimine; Epsylon kaprolaktam; 5-21-06-00444 (Beilstein Handbook Reference); Hexanoic acid, 6-amino-, lactam; omega-caprolactum; 2H-azepin-7-one,hexahydro; C06593; 32838-23-6;hexannic acid |
C6H11NO |
113.16 g/mol |
C1CCC(=O)NCC1 |
|
TCMBANKIN058609 |
2-(4-cyclohexylphenoxy)ethanol |
2-(p-cyclohexyl-phenoxy)ethanol; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-omega-hydroxy-; NSC68829; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-yl-omega-hydroxy-; 2-(p-Cyclohexyl-phenoxy)ethanol; p-Phenylphenoxy polyethylene glycol; 1020-00-4; 28761-54-8; Ethanol, 2-(4-cyclohexylphenoxy)-; Ethanol, 2-(p-cyclohexylphenoxy)-; para-Phenylphenoxypolyethylene glycol; alpha-(1,1'-Biphenyl)-4-omega-hydroxypoly(oxy-1,2-ethanediyl) |
C14H20O2 |
220.31 g/mol |
C1CCC(CC1)C2=CC=C(C=C2)OCCO |
|
TCMBANKIN058612 |
Zyklohexen |
CHEBI:36404; 7493-04-1; 110-83-8; 3,4,5,6-Tetrahydrobenzene; 83224-EP2274983A1; 83224-EP2270114A1; 195642-EP2277872A1; 91500-EP2295429A1; 195642-EP2272972A1; Cyclohexene-3-ylradical; cyclohex-2-enyl; 91500-EP2284157A1; 195642-EP2272973A1; Cyclohexene; 83224-EP2292596A2; 1-cyclohex-2-enyl; 2-cyclohexenyl; 91500-EP2305668A1; 83224-EP2305655A2; cyclohexene; InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H; Cyclohexene; Tetrahydrobenzene; Cyclohexene [UN2256] [Flammable liquid]; 3-Cyclohexenyl radical; Benzenetetrahydride; WLN: L6UTJ; 1,2,3,4-Tetrahydrobenzene; 125431_ALDRICH; UN2256; Benzene, tetrahydro-; 4-Cyclohexenyl radical; 33004-06-7; 1-cyclohexene; Cykloheksen [Polish]; EINECS 203-807-8; NSC 24835; 4-05-00-00218 (Beilstein Handbook Reference); AI3-03146; Hexanaphthylene; 15650-80-3; Benzene tetrahydride; Cyclohex-1-ene; BRN 0906737; NSC24835; Cykloheksen; HSDB 1624; 44028_FLUKA |
C6H10 |
82.14 g/mol |
C1CCC=CC1 |
|
TCMBANKIN058613 |
trans-Decahydronaphthalene |
decahydronaphthalene; decahydro naphthalene; CIS-DECAHYDRONAPHTHALENE; Naphthane |
C10H18 |
138.25 g/mol |
C1CCC2CCCCC2C1 |
|
TCMBANKIN058614 |
WLN: L8VTJ |
ZINC03860309; 4-07-00-00049 (Beilstein Handbook Reference); 29620_FLUKA; 502-49-8; C109800_ALDRICH; NSC 9475; EINECS 207-940-2; NSC9475; Cyclooctanone; BRN 1280738; SBB008888; InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H;Cyclooctanone |
C8H14O |
126.2 |
C1CCCC(=O)CCC1 |
|
TCMBANKIN058615 |
Cyclohexane |
cyclohexane; 154741_SIAL; Benzenehexahydride; Hexanaphthene; Benzene, hexahydro-; Cyclohexane, reaction product with oxygen, nonvolatile residue; 33117_RIEDEL; 68411-76-7; HSDB 60; Cyclohexane, oxidized, non-volatile residue; 227048_ALDRICH; Hexamethylene; Cicloesano [Italian]; Cykloheksan [Polish]; AI3-08222; 676861_ALDRICH; 34496_RIEDEL; UN1145; Cykloheksan; Cyclohexaan [Dutch]; Caswell No. 269; InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H; Cyclohexaan; ghl.PD_Mitscher_leg0.242; RCRA waste number U056; EPA Pesticide Chemical Code 025901; NSC 406835; EINECS 203-806-2; 28935_FLUKA; RCRA waste no. U056; Poly(cyclohexane); NSC406835; Cicloesano; EINECS 270-147-5; Cyclohexane; 15329_RIEDEL; Polycyclohexane; 28920_FLUKA; 110-82-7; Cyclohexan [German]; hexahydro-Benzene; 25012-93-5; WLN: L6TJ; 650455_ALDRICH; LS-516; 28918_FLUKA; Zyklohexan; c0941; CCRIS 3928; Cyclohexan; Hexahydrobenzene; 34855_SIAL; Cyclohexane [UN1145] [Flammable liquid]; 179191_SIAL; C11249; 442531_SUPELCO; Cyclohexane, homopolymer; CHEBI:29005; CHX |
C6H12 |
84.16 g/mol |
C1CCCCC1 |
|
TCMBANKIN058619 |
isochavicine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; Chavicine; UNII-95JV386FPD; AC1LU7IN; CAS-94-62-2; SCHEMBL119081; CHEMBL1395862; piperine; chavicine; isopiperine; (Z,Z)-1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine; NCGC00016355-01; Chavicin; 95JV386FPD; 495-91-0; cis-Piperine; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (Z,Z)-; MXXWOMGUGJBKIW-PORYWJCVSA-N; (2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; ZINC5368587; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,Z)-; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.34 g/mol |
C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058621 |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2 e,8 e-nonadienyl] piperidine |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8 e-nonadienyl] piperidine |
|
|
C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058623 |
piperoleine b |
piperolein b |
C21H29NO3 |
343.5 g/mol |
C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058624 |
Celallocinnine |
CHEBI:132186; celallocinnine; (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one; AC1O56EB; Celacinnine; (2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one; 1,5,9-Triazacyclotridecan-4-one, 9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, (S-(E))-; (-)-celacinnine; 53938-05-9; (S)-(-)-celacinnine |
C25H31N3O2 |
405.5 g/mol |
C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3 |
|
TCMBANKIN058628 |
PIP |
643602_ALDRICH; LS-3053; CHEBI:18049; EINECS 203-813-0; NCIOpen2_007828; CCRIS 967; W290807_ALDRICH; Hexazane; Piperidine [UN2401] [Corrosive]; InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H; Piperidin [German]; Hexahydropyridine; FEMA No. 2908; 411027_ALDRICH; Perhydropyridine; AI3-24114; 80640_FLUKA; Pentamethylenimine; Pyridine, hexahydro-; Cyclopentimine; Piperidine solution; Piperidine; UN2401; 571261_SIAL; 80645_FLUKA; C01746; Pentamethyleneimine; Cypentil; Azacyclohexane; ST5213814; 33537_RIEDEL; HSDB 114; Piperidine on Rasta Resin; 104094_SIAL; 110-89-4; NCIMech_000312;BG00956967; BCP0726000204; AN-3762; DTXSID30705359; (7bR,10aR)-2,3,4,7B,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indolehydrochloride; CO-124; AX8163273; (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(16),2,4-TRIENE HYDROCHLORIDE; WAY163909-HCl; (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE; AKOS016002206; 428868-35-3; PS-J-141; AK-38565; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1); (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1,3,5(16)-TRIENE HYDROCHLORIDE; KB-277464; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride; (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[b][1,4diazepino][6,7,1-HI]indole hydrochloride;piperidine |
C5H11N |
85.15 g/mol |
C1CCNCC1 |
|
TCMBANKIN058629 |
rutacarpine |
rutaecarpine;rutecarpine |
C18H13N3O |
287.3 g/mol |
C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 |
|
TCMBANKIN058631 |
stylopine |
stylopine ; AKOS000277993; AC1LF4K6; SCHEMBL14703887; J0JS75Q12Z; BG01035160; l-Tetrahydrocoptisine; tetrahydrocoptisine; 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine; l-Stylopine; MolPort-000-882-001; ZINC20470298; UNII-J0JS75Q12Z; AJ-77777; (1R)-5,7,17,19-TETRAOXA-13-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)?]TETRACOSA-2,4(8),9,15(23),16(20),21-HEXAENE; (-)-Tetrahydrocoptisine; 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)- (9CI); AKOS016023688; Stylopine; (S)-Stylopin; 13a-alpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)- |
C19H17NO4 |
323.34 |
C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
|
TCMBANKIN058636 |
Noroxyhydrastinine |
7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; CTK4E7692; VSOJKDUWYQCWFM-UHFFFAOYSA-; noroxyhydrastinine; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline; 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one; NSC 201020; NSC-201020; InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12); 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE; AC1Q6NHB; AK396339; 1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; MolPort-000-881-842; CHEMBL449731; AC1L3H11; NSC201020; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-; ZINC1735195; MLS000546669; 2H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE; HMS2346J04; 21796-14-5; 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolin-5(6H)-one; DTXSID30176207; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one #; SCHEMBL564339; 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI); ACM21796145; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline; VSOJKDUWYQCWFM-UHFFFAOYSA-N; FCH843447; NP-006295; SMR000113841; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; NCGC00247079-01; AKOS000277625;noroxoyhydrastinine |
C10H9NO3 |
191.18 |
C1CNC(=O)C2=CC3=C(C=C21)OCO3 |
|
TCMBANKIN058637 |
fagomine |
475630-67-2; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)- (9CI); CHEMBL1818436; AKOS027407919; (+)-1,2-Dideoxygalactostatine; BDBM50350760; AK450766; (2S,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol; FAG; 53185-12-9; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)-; (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol; C10144; (2R,3R,4R)-2-methylolpiperidine-3,4-diol; AIDS-001131; Fagomine; 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol; D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino-; AIDS001131 |
C6H13NO3 |
147.17 g/mol |
C1CNC(C(C1O)O)CO |
|
TCMBANKIN058643 |
Coumaran |
2,3-dihydro-1-benzofuran; 37281_FLUKA; 2,3-DIHYDROBENZOFURAN; EINECS 207-817-3; Benzofuran, 2,3-dihydro-; 496-16-2; InChI=1/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H; SB 01482; 183962_ALDRICH,Kumaran |
C8H8O |
120.15 g/mol |
C1COC2=CC=CC=C21 |
|
TCMBANKIN058649 |
1,2-dithiolane |
Dithiolane;1,2-Dithiolane; 1,2-Dithiacyclopentane; CHEBI:38226; CHEBI:38079; 1,3-Dithiacyclopentane; 467979_ALDRICH; NSC193357; InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H; 4829-04-3; ZINC01733027; NSC 193357; NSC 243807; 1,3-DITHIOLANE; NSC243807; 557-22-2 |
C3H6S2 |
106.21 g/mol |
C1CSSC1 |
|
TCMBANKIN058652 |
irilone |
9-hydroxy-7-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; 41653-81-0; irolone; 9-hydroxy-7-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; Irilone; C10467; Irolone |
C16H10O6 |
298.25 g/mol |
C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O |
|
TCMBANKIN058653 |
PIPERONYLIC ACID |
3,4-(Methylenedioxy)benzoic acid; P49805_ALDRICH; SDCCGMLS-0065919.P002; KBio2_006780; 3,4-Methylenedioxybenzoic acid; NSC10072; Protocatechuic acid methylene ether; 94-53-1; AIDS018074; FR-1276; KBio2_004212; 5-Benzodioxolecarboxylic acid; KBioSS_001644; KBio3_002023; BSPBio_002803; Heliotropic acid; 3,4-Methylene dioxybenzoic acid; NCGC00095970-01; AI3-05972; 80860_FLUKA; SBB003897; 1,3-Benzodioxole-5-carboxylic acid; Spectrum3_001022; Spectrum_001164; KBioGR_001723; Benzoic acid, 3,4-(methylenedioxy)-; AIDS-018074; KBio2_001644; EINECS 202-342-8; 3,4-Dioxymethylenebenzoic acid; Spectrum4_001152; SDCCGMLS-0065919.P001; NSC 10072; SPECTRUM500580; piperonylic acid; 3,4-methylenedioxybenzoic acid |
C8H6O4 |
166.13 |
C1OC2=C(O1)C=C(C=C2)C(=O)O |
|
TCMBANKIN058679 |
norkurarinol |
norkurarinol ; Norkurarinol; CHEMBL454647 |
C25H30O7 |
442.5 g/mol |
CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058692 |
1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-,Acetate |
Perillylacetate;Perillyl acetate;(4-isopropenyl-1-cyclohexen-1-yl)methylacetate |
C12H18O2 |
194.27 g/mol |
CC(=C)C1CCC(=CC1)COC(=O)C |
|
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|
TCMBANKIN058725 |
1-ethenyl-1-methy-2-(1-methylethenyl)-4-(methylethylldene)-cyclohexane |
elixene;cyclohexane,1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-;elixen;gamma-elemene;.gamma.-Elemene |
C15H24 |
204.35 g/mol |
CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C |
|
TCMBANKIN058728 |
Artemisia ketone |
3,3,6-Trimethyl-1,5-heptadien-4-one #; UNII-0JA03K53PD; Isoartemisia ketone; OTYVBQZXUNBRTK-UHFFFAOYSA-N; 1,5-Heptadien-4-one,3,3,6-trimethyl-; artemisia ketone ; ZINC1846548; 546-49-6; 1,5-Heptadien-4-one, 3,3,6-trimethyl-; Isoartemisiaketon; 11105_FLUKA; AC1Q5BHU; EINECS 208-903-3; SCHEMBL3159032; 3,3,6-Trimethyl-1,5-heptadien-4-one; CTK5A2078; 0JA03K53PD; artemisia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; Artemesia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; 3,3,6-Trimethylhepta-1,5-dien-4-one; Artemesia; DTXSID60203030; FT-0691953; CJ-30255; AC1L29KD; 3,3,6-trimethyl-hepta-1,5-dien-4-one; KB-47443 |
C10H16O |
152.23 |
CC(=CC(=O)C(C)(C)C=C)C |
|
TCMBANKIN058729 |
Mesityloxid |
Oxyde de mesityle; Oxyde de mesityle [French]; Acetone, isopropylidene-; Ossido di mesitile [Italian]; Methyl 2,2-dimethylvinyl ketone; 3-Isohexen-2-one; UN1229; Methyl isobutenyl ketone; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; 2-Methyl-4-oxo-2-pentene; ZINC01670856; 4-01-00-03471 (Beilstein Handbook Reference); 4-Methyl-3-penten-2-one; Isobutenyl methyl ketone; Isopropylideneacetone; NSC38717; EINECS 205-502-5; Mesityloxyde [Dutch]; 4-Methylpent-3-en-2-one; Mesityl oxide; AI3-07702; EPA Pesticide Chemical Code 052401; FEMA No. 3368; 2-Methyl-2-pentenone-4; FEMA Number 3368; Mesityloxyde; Ossido di mesitile; ST5214461; 4-Methyl-3-penten-2-on; 281832_ALDRICH; 4-Metil-3-penten-2-one [Italian]; BRN 1361550; 4-Metil-3-penten-2-one; Mesityl oxide [UN1229] [Flammable liquid]; WLN: 1Y1 & U1V1; 141-79-7; 4-Methyl-3-penten-2-on [Dutch, German]; Caswell No. 547; W336807_ALDRICH; 2,2-Dimethylvinyl methyl ketone; 63940_FLUKA; 3-Penten-2-one, 4-methyl-; HSDB 1195; Isopropylidene acetone; Methyl 2-methyl-1-propenyl ketone; NSC 38717;TR-005373; CHEBI:89993; MCULE-4922478422; CJ-07569; SC-47106; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; CTK3J4711; 4-Methyl-3-penten-2-one, analytical reference material; KB-78313; Isobutenyl methyl ketone; 2-Methyl-4-oxo-2-pentene; NSC38717; RP18648; 4-methyl-pent-3-en-2-one; NCGC00259629-01; Mesityloxyde [Dutch]; Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one; FEMA No. 3368; MolPort-000-872-030; BG00599844; LS-2950; BRN 1361550; Caswell No. 547; Tox21_202080; HSDB 1195; Isopropylidene acetone; EC 205-502-5; MESITYL OXIDE; Oxyde de mesityle; A807813; Ossido di mesitile [Italian]; AC1L1RU7; KS-00000WGV; 7471AF; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; M1340; 1-Methylpent-2-en-4-one; NCGC00257514-01; 4-Methyl-3-penten-2-one; KSC494O1D; S14-1428; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-methylpent-2-en-4-one; 3-Penten-2-one,4-methyl-; AN-43889; M0069; AKOS000118892; FEMA 3368; TRA0020647; 4-Methyl-3-penten-2-on; 4-Metil-3-penten-2-one [Italian]; DSSTox_RID_78697; Mesityloxid(german); SHOJXDKTYKFBRD-UHFFFAOYSA-N; 4-Methyl-3-penten-2-on [Dutch, German]; RTR-005373; Methyl 2-methyl-1-propenyl ketone; 3-Penten-2-one, 4-methyl-; 4-Methyl-3-penten-2-on(DUTCH, GERMAN); Cilastatin Impurity D (Mesityl Oxide); 4-Methyl-3-penten-2-one (mesityl oxide); LMFA12000030; 4-Methyl-3-penten-2-one, 90%; Oxyde de mesityle [French]; Methyl 2,2-dimethylvinyl ketone; Mesityloxid; Methyl isobutenyl ketone; UN1229; BB_NC-2260; Isopropylideneacetone; CHEMBL3185916; ACMC-1BOEP; (CH3)2C=CHC(=O)CH3; Mesityl oxide, technical grade, 90%; DTXSID1029170; 4-Methyl-3-penten-2-one, 9CI; MFCD00008900; 2-Methyl-2-pentenone-4; Ossido di mesitile; Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%; Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material; UNII-77LAC84669; NCGC00249161-01; Q-201356; Mesityl oxide, mixture of alpha- and beta-isomers; Mesityl oxide [UN1229] [Flammable liquid]; STL146350; FT-0628235; NSC 38717; AC1Q1JB3; Mesityl oxide [UN1229] [Flammable liquid]; Acetone, isopropylidene-; Mesityl oxide, European Pharmacopoeia (EP) Reference Standard; 77LAC84669; 3-Isohexen-2-one; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; Jsp002461; EINECS 205-502-5; 4-Methylpent-3-en-2-one; Tox21_303606; SBB040870; AI3-07702; Mesityloxyde; EPA Pesticide Chemical Code 052401; FEMA Number 3368; Isopropylidene-Acetone; CAS-141-79-7; CJ-32144; DSSTox_CID_9170; 4-Metil-3-penten-2-one; UN 1229; BBL027732; WLN: 1Y1 & U1V1; NSC-38717; 141-79-7; ANW-41508; 2,2-Dimethylvinyl methyl ketone; DSSTox_GSID_29170; ZINC100019800; Mesityl oxide, technical, 90%, remainder 4-methyl-4-penten-2-one 100ml |
C6H10O |
98.14 |
CC(=CC(=O)C)C |
|
TCMBANKIN058730 |
MESACONATE |
(E)-2-methylbut-2-enedioic acid; Butenedioic acid, methyl-, (E)-; NSC65438; 2-methylfumarate; 498-24-8; (2E)-2-METHYLBUT-2-ENEDIOIC ACID; Fumaric acid, methyl-; BRN 1722680; WLN: QVY1&U1VQ; EINECS 207-859-2; 131040_ALDRICH; (E)-2-methyl-2-butanedionic acid; 2-Butenedioic acid, 2-methyl-, (Z)-; 2-Butenedioic acid, 2-methyl-, (2E)-; Maleic acid, methyl-; NSC32949; mesaconic acid; MESACONIC ACID, MESACONATE; C01732; 2-Butenedioic acid, 2-methyl-, (E)-; WLN: QVY1&U1VQ -T; 2-Methylfumaric acid; 4-02-00-02231 (Beilstein Handbook Reference); 2-Butenedioic acid, 2-methyl-, (E)- (9CI); NSC 65438; cis-Methylbutenedioic acid; Methylfumaric acid; 2-methylbut-2-enedioic acid; trans-1-Propene-1,2-dicarboxylic acid; Kyselina mesakonova [Czech]; 63880_FLUKA; trans-2-Methyl-2-butenedioic acid;mesaconic acid;mesaconicacid |
C5H6O4 |
130.1 |
CC(=CC(=O)O)C(=O)O |
|
TCMBANKIN058737 |
Methylheptadienone |
1604-28-0; SBB008066; 2-Methylhepta-2,4-dien-6-one; (3E)-6-methylhepta-3,5-dien-2-one; AI3-25071; FEMA No. 3363; EINECS 216-507-7; W336300_ALDRICH; (3E)-6-Methyl-3,5-heptadien-2-one; ZINC02018343; 6-Methylhepta-3,5-dien-2-one; 6-Methyl-3,5-heptadiene-2-one; 3,5-Heptadien-2-one, 6-methyl-; FR-0833; 16647-04-4; 3,5-Heptadien-2-one, 6-methyl-, (E)-; 6-METHYL-3,5-HEPTADIEN-2-ONE;(e)-6-methyl-3,5-heptadien-2-one; (4E)-8-methylnona-4,7-dien-3-one; AC1NSYFD;6- Methyl- 3, 5- heptadiene-2- one;6-methyl-3,5-heptadiene-2-one;(E)-6-Methyl-3,5-heptadien-2-one |
C8H12O |
124.18 g/mol |
CC(=CC=CC(=O)C)C |
|
TCMBANKIN058739 |
crocetin |
2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI); C08588; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; AIDS-073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-;.alpha.-Crocetin; 8,8'-diapo-8,8'-carotenedioate; 8,8'-diapo-psi,psi-carotenedioate; AIDS073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-; Crocetin; 27876-94-4; crocetin(2-); 8,8'-Diapocarotenedioic acid; NCI60_003871; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; LMPR01070223; CHEBI:62767; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; 8,8'-Diapo-psi,psi-carotenedioic acid; EINECS 248-708-0; CCRIS 7484; Natural yellow 6; NSC 407300; CI 75100; 8,8'-diapocarotene-8,8'-dioate; 8,8'-diapocarotenedioate; crocetin dianion; α-crocetin |
C20H24O4 |
328.4 |
CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O |
|
TCMBANKIN058747 |
futoquinol |
AOZTYYBGNNXAOI-NTEUORMPSA-N; C10574; 2-Allyl-4-[(E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one #; 2,5-Cyclohexadien-1-one, 4-(2-(1,3-benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propenyl)-, (E)-; BG01067915; CHEMBL498296; AKOS032949021; 4-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one;isofutoquinol a. b 4CN-3014;isofutoquinol a. b CHEBI:5203; 9430AF; 28178-92-9; AC1NQZ5C; Futoquinol; (E)-2-Allyl-4-(2-(1,3-benzodioxol-5-yl)-1-methylvinyl)-4,5-dimethoxy-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one,4-[(1E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)- |
C21H22O5 |
354.4 |
CC(=CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
TCMBANKIN058753 |
arnebin |
Alkannin beta,beta-dimethylacrylate;3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; 3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; C10293; 5162-01-6; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate; NCIMech_000202; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate |
C21H22O6 |
370.4 g/mol |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C |
|
TCMBANKIN058756 |
Kushenol I |
kushenol i; CHEMBL243147; AIDS-071724; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chromen-4-one; AIDS071724; Kushenol N; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-((2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (2R,3R)-; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methylhex-4-enyl]-4-chromenone; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chromone; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chromen-4-one; 99119-69-4; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2R,3R)-;SCHEMBL564580; ZINC33832193; 99119-73-0; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one; DTXSID80243958; LMPK12112514; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-((2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (2R,3R)-; AC1NUKB6; Kushenol C; MolPort-039-338-716; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chromen-4-one; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2R,3R)- |
C25H26O7 |
438.5 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C |
|
TCMBANKIN058757 |
sophoraflavanone g |
sophoraflavanone g;Vexibinol;(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chroman-4-one; ZINC02008850; 4H-1-benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2,4-dihydroxyphenyl)-8-(5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (S-(R*,S*))-; Sophoraflavanone G; InChI=1/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methylhex-4-enyl]-4-chromanone; 97938-30-2; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methylhex-4-en-1-yl)-2,3-dihydro-4H-chromen-4-one; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)-chroman-4-one |
C25H28O6 |
424.5 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C |
|
TCMBANKIN058758 |
leachianone,a |
leachianone A;ZINC14711612; (2S)-5,7,4'-trihydroxy-8-lavandulyl-2'-methoxyflavanone; ST24036199; BG01146312; (2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one; (S)-5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one; AJ-65326; CHEBI:66559; AKOS022185401; AK136078; (2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one; Isokurarinone; (2S)-5,7-DIHYDROXY-2-(4-HYDROXY-2-METHOXYPHENYL)-8-[(2R)-5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL]-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; BDBM50377946; W1571; leachianone A; D0D4FV; MolPort-028-754-113; CHEMBL453642; 97938-31-3 |
C26H30O6 |
438.51 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C |
|
TCMBANKIN058759 |
(R)-Lavandulol |
(2R)-2-isopropenyl-5-methylhex-4-en-1-ol; Lavandulol (6CI); 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-; 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI); (-)-Lavandulol; (R)-(-)-Lavandulol; lavandulol (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol; (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol; (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol; 498-16-8; 21090-68-6; (2R)-5-methyl-2-prop-1-en-2-yl-hex-4-en-1-ol; (2R)-2-isopropenyl-5-methyl-hex-4-en-1-ol |
C10H18O |
154.25 |
CC(=CCC(CO)C(=C)C)C |
|
TCMBANKIN058761 |
(E)ocimene |
(E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene |
C10H16 |
136.23 g/mol |
CC(=CCC=C(C)C=C)C |
|
TCMBANKIN058765 |
Isogeraniol |
3,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-; (3Z)-3,7-dimethylocta-3,6-dien-1-ol; (3E)-3,7-dimethylocta-3,6-dien-1-ol |
C10H18O |
154.25 g/mol |
CC(=CCC=C(C)CCO)C |
|
TCMBANKIN058774 |
Icariin I |
icariin i; icariside I; icariside i |
C27H30O11 |
530.5 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)O)O)O)C |
|
TCMBANKIN058775 |
phellamurin;Fellavine |
(2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one; ZINC4273378; AC1OG930;(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone; MEGxp0_002039; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2R-trans)-; C09808; (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one; (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one; Phellamurin; 52589-11-4; 3,4',5,7-Tetrahydroxy-8-isoprenylflavanone-7-O-glucoside; ACon1_000824; (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one; 8-Prenyldihydrokaempferol 7-glucoside; ZINC04098359; STOCK1N-50527; (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one |
C26H30O11 |
518.5 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C |
|
TCMBANKIN058777 |
euchrenone |
(2s)-euchrenone a16 |
C25H28O5 |
406.56 |
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O)O)C |
|
TCMBANKIN058788 |
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;2,4,2',4'-tetrahydroxy-3'-prenylchalcone |
|
C20H20O5 |
340.37 |
CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C |
|
TCMBANKIN058792 |
sophoraisoflavanone a |
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one; AC1L9DGH; LMPK12050480; 69573-59-7; DTXSID00331962; C10530; Sophoraisoflavanone A |
C21H22O6 |
370.4 g/mol |
CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C |
|
TCMBANKIN058793 |
osthol |
Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; AIDS-221947; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; Osthole isolated from Scutellaria baicalensis; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; AIDS-104947; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; ZINC00000566; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; 7-methoxy-8-(3-methylbut-2-enyl)-2-chromenone; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-enyl)coumarin; AIDS104947; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; AIDS221947; KBioGR_001954; osthol ; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; osthol; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; osthole ; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; 7-methoxy-8-[3-methylpent-2-enyl]coumarin; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 7-methoxy-8-isopentenoxycoumarin; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; KBioGR_001954; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; ostole;osthole |
C15H16O3 |
244.28 g/mol |
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
|
TCMBANKIN058794 |
isobavachin |
|
C20H20O4 |
324.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN058795 |
(-)-phaseollidin |
CHEBI:17556; AKOS032948450; CHEMBL508534; AC1Q70TS; 4CN-1496; (?)-phaseollidin; ZINC895662; Phaseollidin; BDBM50311583; DTXSID50191270; AC1L3OI5; SCHEMBL1545850; Phaseolidin; LMPK12070011; MolPort-023-298-969; 37831-70-2; BG01036204; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR,11aR)-; Phaseollidin; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; 6h-benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-,(6ar-cis)-; (-)-Phaseollidin; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR-cis)-; D0A9CZ; 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-10-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-; W2071; C05230; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR-cis)-; (-)-Phaseollidin; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofurano[3,2-c]chromene-3,9-diol; CHEBI:17556; 37831-70-2; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromene-3,9-diol; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR,11aR)-; phaseollidin; C05230; (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
C20H20O4 |
324.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)C |
|
TCMBANKIN058800 |
garcinone b |
Pyrano[3,2-a]xanthen-12(3H)-one, 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methyl-2-butenyl)-; AIDS-180907; 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-12-pyrano[5,6-a]xanthenone; 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[5,6-a]xanthen-12-one;AIDS180907 |
C23H22O6 |
394.4 g/mol |
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C |
|
TCMBANKIN058803 |
Mulberrin |
ACon0_000342;kuwanon c; BDBM50242015; ACon1_001122; 2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one; ZINC14727558; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one; Norartocarpin; AKOS032948822; BRD-K55131635-001-01-3; KUWANON-C; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-; 62949-79-5; MEGxp0_001037; AC1NULGM; LMPK12110895; Kuwanonc; DTXSID20212148; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one; Kuwanon C, 4; Kuwanon C; MCULE-4706134068; Cudraflavone C; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; AIDS-098108; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-4-chromenone; mulberrin; SCHEMBL3680736; 4CN-2417; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromone; MolPort-001-741-195; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one; 19275-47-9; AIDS098108; CHEMBL518543 |
C25H26O6 |
422.47 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C |
|
TCMBANKIN058804 |
8-Isopentenyl-kaempferol |
De-O-methylanhydroicaritin; Noranhydroicaritin; CHEMBL192159; MolPort-039-063-533; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; LMPK12111981; 28610-31-3; desmethylicaritin; AC1NSX3I; AKOS025288161; 8-c-prenylkaempferol; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 4CN-2888; 8-isopentenyl-kaempferol; BG01643044; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-Prenylkaempferol; Desmethyl Icaritin; FT-0666133; DTXSID70415743; 0V5XK67Y0S; UNII-0V5XK67Y0S; 4'-Desmethylicaritin; SCHEMBL4223551; 3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-; Noranhydroicartin; W-202198; ZINC14762765;desmethylicaritin |
C20H18O6 |
354.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN058805 |
Anhydroicaritin |
118525-40-9; anhydroicaritin; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone |
C21H20O6 |
368.38 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
|
TCMBANKIN058806 |
Glabranin |
(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchroman-4-one; NCGC00017206-01; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-; 41983-91-9; (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one; glabranin; TNP00074; (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromanone; AIDS095899; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (S)-; (S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-4H-1-benzopyran-4-one; AIDS-095899; TimTec1_002029; NCGC00142379-01; ZINC00113294; C09752; ST024709;glabranine |
C20H20O4 |
324.37g/mol |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C |
|
TCMBANKIN058822 |
psi-Ionone |
STOCK1N-19334; 6,10-Dimethylundeca-3,5,9-trien-2-one; 6,10-Dimethyl-3,5,9-undecatriene-2-one; 82536_FLUKA; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #1; 3548-78-5; trans-.psi.-Ionone; 6,10-Dimethyl-3,5,9-undecatrien-2-one; Pseudoionone; 2,6-Dimethylundeca-2,6,8-triene-10-one; ZERO/002864; Citrylideneacetone; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3; .psi.-Ionone; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2; Pseudoionones; N-[2-(1-Aziridinyl)ethyl]-3,7-dimethyl-6-octen-1-amine; 141-10-6; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-; AI3-22131; (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one; ZINC02101359; EINECS 205-457-1;Pseudoionone |
C13H20O |
192.3 g/mol |
CC(=CCCC(=CC=CC(=O)C)C)C |
|
TCMBANKIN058827 |
sanggenol |
sanggenol A;sanggenol a |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
TCMBANKIN058830 |
(Z)-β-farnesene |
(z)-beta-farnesene; (Z)-β-Farnesene; (6Z)-7,11-dimethyl-3-methylene-1,6,10-dodecatriene; (6Z)-7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene; beta-cis-farnesene; (Z)-beta-farnesene; (6Z)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene; beta-(Z)-farnesene; cis-β-Farnesene; (Z)-.beta.-Farnesene; 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-; 28973-97-9; CHEBI:39242; (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene; (6Z)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene; cis-beta-farnesene |
C15H24 |
204.35 g/mol |
CC(=CCCC(=CCCC(=C)C=C)C)C |
|
TCMBANKIN058836 |
(5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
hydrofarnesylacetone; (5E,9E)-farnesyl acetone; farnesylacetone; CHEBI:67252; FEMA No. 3442; Farnesylacetone; trans, trans-farnesylacetone; DTXSID5061087; EINECS 212-097-9; AC1LVUAM; 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; AN-20576; (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 3S0G4N267H; farnesylacetol; ST24026309; Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-; 46195_FLUKA; SCHEMBL17273769; SBB012619; AJ-61341; UNII-3S0G4N267H; 762-29-8; 36115P; Farnesyl acetone; 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-; LTUMRKDLVGQMJU-UHFFFAOYSA-N; LTUMRKDLVGQMJU-IUBLYSDUSA-N; EINECS 214-246-3; AK112408; 117F528; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; AKOS015963256; Farnesylacetone, technical, mixture of stereo isomers, >=90% (GC); S408; Farnesyl acetone, (5E,9E)-; 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one; E,E-farnesylacetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-; 1117-52-8; ZERO/001267; Farnesylacetone, mixture of isomers; trans,trans-farnesylacetone; 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-; AC1Q1K55; MolPort-005-306-293; MFCD00036517; ZINC12358879; KB-208683; farnesyl acetone; 2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one; UNII-26A08O86E6 component LTUMRKDLVGQMJU-IUBLYSDUSA-N; (E,E)-farnesylacetone; CHEMBL486207; TRIMETHYLPENTADECATRIEN-2-ONE; MCULE-4966055907; I14-113745; Famesyl acetone; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #; e,e-farnesylacetone; (E, E)- farnesyl acetone; Famesyl acetone |
C18H30O |
262.4 g/mol |
CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
|
TCMBANKIN058844 |
Nerol acetate |
3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate |
C12H20O2 |
196.29 g/mol |
CC(=CCCC(=CCOC(=O)C)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
TCMBANKIN058894 |
santalol |
α-santalol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 4R, 6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (2Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol; CHEBI:10441; (Z)-beta-santalol; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-; beta-Santalenol; 37172-31-9; (1S-(1alpha, 2alpha(Z), 4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol; beta-santalol; CHEBI:10441; cis-beta-santalol; Santalol, beta-; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha, 2alpha(Z), 4alpha))-; UNII-1DGG9VW8SA |
C15H24O |
220.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)CO |
|
TCMBANKIN058897 |
deoxyshikonin |
X908DXC99I; 1,4-Naphthalenedione,5,8-dihydroxy-2-(4-methyl-3-penten-1-yl)-; D2117; 43043-74-9; DTXSID80195660; C18133; CJ-29399; 11-Deoxyalkannin; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthalenedione; 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-; CHEBI:81530; BG00979346; ARNEBIN-7; NSC 179184; Arnebin 7; AC1L40II; CHEMBL486627; SR-05000013699-1; NSC179184; 9368AF; MolPort-035-785-199; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone; ZINC1730009; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone #; UNII-X908DXC99I; MFCD00144053; C-56477; VOMDIEGPEURZJO-UHFFFAOYSA-N; Deoxyshikonin; FT-0749847; SR-05000013699; CCG-208460; NSC-179184; AC1Q6B9I; SCHEMBL2873443;Arnebin 7;NSC 179184; 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione; Deoxyshikonin; 43043-74-9; NSC179184; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone; ARNEBIN-7; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-; 5,8-dihydroxy-2-(4-methylpent-3-enyl)-1,4-naphthoquinone |
C16H16O4 |
272.29 g/mol |
CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C |
|
TCMBANKIN058902 |
3-methyl-2-buten-1-ol |
CAS-556-82-1; DTXSID2027206; CHEBI:16019; 3-METHYL-2-BUTEN-1-OL; ST24042313; Prenyl alcohol; butenol methyl; 3,3-Dimethylallyl alcohol; Prenyl alcohol; 2-Buten-1-ol, 3-methyl-; TR-019627; 3,3-Dimethylallyl alcohol, Prenol; BB_NC-2261; STL163363; NSC-158709; AC1Q1NVX; 3-Methyl-2-butenyl alcohol; AKOS005716671; J-003259; KS-00000W7D; BG00599810; 3-methyl-2 -buten-1-ol; UNII-55MY0HM445; gamma-Methylcrotyl Alcohol; AC1L1WRV; NCGC00259783-01; J-512892; RP18453; 3-methyl-2-buten-1ol; Tox21_303419; 3-Methyl-2-butenol; 4-01-00-02129 (Beilstein Handbook Reference); EC 209-141-4; MFCD00002916; PRENOL (3-METHYL-2-BUTEN-1-OL); 3-Methylbut-2-en-1-ol; AJ-24267; NCGC00249194-01; MCULE-3984123588; C01390; 3-methyl-but-2-en-1-ol; TRA0070929; ASUAYTHWZCLXAN-UHFFFAOYSA-N; 3-Methyl-2-buten-1-ol, >=98%, FG; 556-82-1; NSC 158709; Methyl-3-but-2-en-1-ol; DSSTox_CID_7206; Dimethylallyl alcohol; DSSTox_GSID_27206; LMFA05000106; ZINC897129; ACMC-1AZ43; .gamma.,.gamma.-Dimethylallyl alcohol; 2-Butenol, 3-methyl; AN-23688; AC1Q77UI; 135146-66-6; 3,3-Dimethylallyl alcohol; SC-77150; MolPort-001-793-102; CTK1H1855; 3-methylbut-2-enol; FEMA 3647; 55MY0HM445; NSC158709; ANW-32368; NE10242; I14-6190; Tox21_202234; AK-48339; FEMA No. 3647; CHEMBL3184952; 3-Methylcrotyl alcohol; DSSTox_RID_78350; LS-2909; FT-0616060; KSC271Q5L; InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H; A830750; NCGC00257241-01; EBD5438; 2-methyl-2-buten-4-ol; M0714; KB-70950; 56M821; RTR-019627; EINECS 209-141-4; Prenol; BBL011665; 3-Methyl-2-butene-1-ol; BRN 1633479; Prenol; 3-methyl-2-buten-ol |
C5H10O |
86.13 g/mol |
CC(=CCO)C |
|
TCMBANKIN058907 |
Azeton |
ACETONE; 673781_ALDRICH; Methyl ketone; Propanon; propan-2-one; C00207; W332615_ALDRICH; Pyroacetic acid; 40308_RIEDEL; 67-64-1; EPA Pesticide Chemical Code 004101; propanone; CHEBI:15347; dimethylcetone; ST5214392; HSDB 41; 414689_ALDRICH; Acetone [UN1090] [Flammable liquid]; 323772_ALDRICH; Chevron acetone; 320110_SIAL; c0556; 154598_SIAL; EINECS 200-662-2; Aceton [German, Dutch, Polish]; Dimethylketal; 00561_FLUKA; Dimethylketon; 34850_SIAL; 2-propanone; Acetone (TN); 179973_ALDRICH; Dimethylformaldehyde; dimethylketone; WLN: 1V1; Acetone (NF); ZINC00895111; RCRA waste number U002; 24201_RIEDEL; Aceton; RCRA waste no. U002; 179124_SIAL; 34480_RIEDEL; FEMA No. 3326; UN1090; Pyroacetic ether; Ketone, dimethyl-; 270725_ALDRICH; 534064_ALDRICH; 90872_FLUKA; Ketone, dimethyl; Caswell No. 004; 32201_RIEDEL; D02311; InChI=1/C3H6O/c1-3(2)4/h1-2H; Dimethyl ketone; AI3-01238; NCGC00091179-01; Dimethyl formaldehyde; 40289_RIEDEL; W332607_ALDRICH; Ketone propane; NSC135802; NSC 135802; .beta.-Ketopropane; beta-Ketopropane; 650501_ALDRICH; CCRIS 5953; Acetone (natural); 443638_SIAL; 439126_ALDRICH;acetone |
C3H6O |
58.08 |
CC(=O)C |
|
TCMBANKIN058908 |
Butanedione |
diacetyl; 2,3-Butanedione; biacetyl; 2,3-Butadione; 2,3-diketobutane; dimethylglyoxal; WLN: 1VV1; 4-01-00-03644 (Beilstein Handbook Reference); EU-0100387; Diacetyl (natural); NSC8750; W237035_ALDRICH; 2,3-Butanedione (8CI,9CI); Butanedione; 2,3-butanedione; UN2346; SGCUT00113; InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H; Lopac-D-3634; 11038_FLUKA; CCRIS 827; EINECS 207-069-8; dimethyl diketone; ZINC01532732; 151677-70-2; to_000005; 625-34-3; Butanal, 3-oxo-; FEMA No. 2370; NCGC00015336-01; DIACETYL; Butane-2,3-dione; CHEBI:16583; NSC 8750; Butanedione [UN2346] [Flammable liquid]; LS-116; W237000_ALDRICH; 31530_FLUKA; Lopac0_000387; Butanedione [UN2346] [Flammable liquid]; BRN 0605398; 2,3-dioxobutane; butadione; 431-03-8; C00741; NCGC00090746-01; AI3-03313; 2,3-butandione; HSDB 297; Acetoacetaldehyde; B85307_ALDRICH; Dimethyl glyoxal; Glyoxal, dimethyl- |
CH3COCOCH3 |
86.09 g/mol |
CC(=O)C(=O)C |
|
TCMBANKIN058910 |
1,2-propanedione,1-phenyl- |
Phenylmethyldiketone; EINECS 209-435-2; CCRIS 6297; ST5437535; Benzoyl methyl ketone; 223034_ALDRICH; ZINC01683675; FEMA No. 3226; Acetylbenzoyl; Methylphenylglyoxal; 1,2-Propanedione, 1-phenyl-; 1-Phenyl-1,2-propanedione; Acetyl benzoyl; AI3-23868; 1-phenyl-1,2-propandione; 579-07-7; 30581-69-2; W322601_ALDRICH; 3-Phenyl-2,3-propanedione; 1-Phenylpropane-1,2-dione; NSC 7643; Benzoylacetyl; InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H; NSC7643; Methyl phenyl diketone; Methyl phenyl glyoxal; Phenyl methyl diketone;Phenylmethyldiketone; ZINC1683675; KB-13080; DTXSID3060372; CCRIS 6297; ST45024211; W-105429; CJ-27768; FEMA No. 3226; Acetylbenzoyl; SCHEMBL8670415; LS-179806; SC-81678; 1-phenyl-1,2-propandione; AM20040761; 579-07-7; SCHEMBL180411; D02TLP; RT-002303; 1-Phenyl-1,2-propanedione, 98%, FG; BVQVLAIMHVDZEL-UHFFFAOYSA-N; 1-PHENYL-1,2-PROPANEDIONE; NSC7643; AKOS003382258; BG01498911; CJ-06351; BDBM22724; ZB5XA3GD0I; Methylphenylglyoxal; Pyruvophenone; AS-11744; AB1006062; MolPort-001-780-114; ST2415466; AN-21476; CTK3J4995; 30581-69-2; 3-Phenyl-2,3-propanedione; NSC 7643; CS-W019544; NSC-7643; Methyl phenyl diketone; 1-Phenyl-propane-1,2-dione; Phenyl methyl diketone; EINECS 209-435-2; ACMC-1ATOH; Benzoyl methyl ketone; phenyl-propane dione; 1,2-Propanedione, 1-phenyl-; CHEMBL192258; AI3-23868; 579P077; KSC494S9L; DB-003204; MFCD00008755; 4CH-014605; 1-Phenylpropane-1,2-dione; Phenyl-1,2-Propanedione; NE10607; UNII-ZB5XA3GD0I; 1-Phenyl-1,2-propanedione, 99%; Methyl phenyl glyoxal; FEMA 3226; FT-0608215; P0210; 1-phenyl-1,2-dioxopropane; CHEBI:63552; AC1L1X71; MCULE-5571144917; C17268; AJ-29774; SBB064017; Acetyl benzoyl; alpha-keto-propiophenone; AK116651; 1-phenyl-1,2-propane dione; Benzoylacetyl; A831668; ANW-32826; InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H;1-phenyl-1,2-propanedione;benzoylacetyl;Pyruvophenone |
C9H8O2 |
148.16 g/mol |
CC(=O)C(=O)C1=CC=CC=C1 |
|
TCMBANKIN058922 |
2,4-dihydroxy acetophenone;WLN: QR CQ DV1 |
W-100356; NSC10883; Resorcinol, 4-acetyl-; KB-17586; AC1Q5ED3; AC1L1NR7; TC-067541; ACMC-209r36; NSC-10883; 2',4'-Dihydroxyacetophenone, 99%; 2,4,-dihydroxyacetophenone; AKOS 90593; 2',4'-DIHYDROXYACETOPHENONE; 1-(2,4-Dihydroxyphenyl)ethanone, 9CI; ST053782; SCHEMBL26357; 4-Acetylresorcinol; beta-Resacetophenone; 2,4-Dihydroxyacetophenone; SULYEHHGGXARJS-UHFFFAOYSA-N; NSC 10883; AN-15263; FS-3456; 1-Acetyl-2,4-dihydroxybenzene; ZB001051; 1-(2,4-Dihydroxyphenyl)ethanone; 2,4-dihydroxyacetophenone; 1,3-Dihydroxy-4-acetylbenzene; .beta.-Resacetophenone; Acetophenone, 2',4'-dihydroxy-; BC676988; BG00600671; AS01140; BIDD:ER0659; AB1002103; SC-07232; MFCD00002279; 4-Acetyl-1,3-benzenediol; NSC-37559; 2,4-Dihydroxy Acetophenone; EINECS 201-945-3; KSC448A9T; AC-1105; TRA0025245; DTXSID4058998; 2,4-DIHYDROOXYACETOPHENONE; ANW-39376; FT-0610122; 2'4'-dihydroxyacetophenone; Ethanone, 1-(2,4-dihydroxyphenyl)-; SBB040836; 1-(2,4-dihydroxy-phenyl)-ethanone; ST2414924; 89-84-9; STK084318; Resoacetophenone; RTC-067541; UC3V356VZC; F1995-0239; 4CN-0699; Resacetophenone; 2,4-dihydroxy actophenone; PubChem3375; 2',4'-Dihydroxyacetophenon; D0561; BBL012128; WLN: QR CQ DV1; 1-Acetyl-2,4-dihydroxybenzene; 4-Acetylresorcinol; Resacetophenone; BRN 1282505; BB_SC-6691; 2,4-dihyroxyacetophenone; MolPort-000-482-777; AKOS BBS-00004294; I01-2131; AC1Q1JHT; AK-50224; ZINC38028; C03663; InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H; 1-(2,4-dihydroxyphenyl)ethan-1-one; CS-W008599; TL8005791; BDBM50241221; RL05645; BG01499417; UKRORGSYN-BB BBR-007146; TIMTEC-BB SBB040836; STR03384; 4-Acetyl-Resorcinol; dihydroxyacetophenon; S-1332; KS-00000C03; CHEMBL243374; AM20041337; CJ-00226; 1-Acetylbenzene-2,4-diol; 2',4'-Dihydroxy-acetophenone; 2'',4''-dihydroxyacetophenone; UNII-UC3V356VZC; CHEBI:18414; NSC37559; 1-(2,4-Dihydroxyphenyl)-ethanone; MCULE-8687773185; AI3-00866; CTK3E8099; LS-13469; Z57101026; 4-08-00-01792 (Beilstein Handbook Reference); AJ-08777; AB0000224; AKOS000119522;.beta.-Resacetophenone; Acetophenone, 2',4'-dihydroxy-; NSC10883; 89-84-9; Resoacetophenone; AIDS-017971; Resorcinol, 4-acetyl-; 37450_FLUKA; Resacetophenone; ZINC00038028; EINECS 201-945-3; 2',4'-Dihydroxyacetophenone; D107409_ALDRICH; ST053782; 2′,4′-Dihydroxyacetophenone; BRN 1282505; 4-Acetylresorcinol; 2,4-Dihydroxyacetophenone; NSC 10883; NSC37559; CHEBI:18414; AI3-00866; C03663; AIDS017971; InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H; 4-08-00-01792 (Beilstein Handbook Reference); 1-Acetyl-2,4-dihydroxybenzene; Ethanone, 1-(2,4-dihydroxyphenyl)-; 1-(2,4-Dihydroxyphenyl)ethanone |
C8H8O3 |
152.15 |
CC(=O)C1=C(C=C(C=C1)O)O |
|
TCMBANKIN058934 |
p-hydroxyacetophenone |
p-hydroxy-acetophenone; 4'-hydroxyacetophenone; 4-hydroxyacetophenone; Piceol; para-hydroxy-acetophenone; 4′ -Hydroxyacetophenone; c0694; Acetophenone,4'-hydroxy-; C10700; (4-Hydroxyphenyl)ethan-1-one; Ethanone,1-(4-hydroxyphenyl)-; Phenol,p-acetyl-; AB-131/40179700; 99-93-4; p-Hydroxyphenyl methyl ketone; Acetophenone,p-hydroxy-; 4-Hydroksyacetofenol [Polish]; NSC 3698; 1-(4-Hydroxyphenyl)ethanone; AI3-12133; Usaf kf-15; NSC3698; EINECS 202-802-8; p-Oxyacetophenone; WLN: QR DV1; 54180_FLUKA; p-Hydroxyacetophenone; InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H; 4'-Hydroxyacetophenone; AIDS026793; 1-(4-Hydroxy-phenyl)-ethanone; HYDROXYACETOPHENONE,PARA; 4-Acetylphenol; p-Hydroxacetophenone; ST5213412; Acetophenone,4'-hydroxy- (8CI); 278564_ALDRICH; p-Acetylphenol; AIDS-026793; 4-Hydroxyacetophenone; Methyl-p-hydroxyphenyl ketone; ZINC00330136; Methyl p-hydroxyphenyl ketone; 4-hydroxy-acetophenone |
C8H8O2 |
136.15 g/mol |
CC(=O)C1=CC=C(C=C1)O |
|
TCMBANKIN058935 |
acetanisole |
4-methoxy-acetophenone;Vananote;4-Acetylanisole; Acetanisole; EINECS 202-815-9; FEMA No. 2005; NSC 209523; InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H; Methyl 4-methoxyphenyl ketone; NSC209523; Anisyl, p-, methyl ketone; Ethanone, 1-(4-methoxyphenyl)-; Novatone; 117374_ALDRICH; AI3-00227; ZINC00157405; AB-131/40174083; p-Acetylanisole; WLN: 1VR DO1; 4'-Methoxyacetophenone; 4-Methoxyacetofenon [Czech]; Acetophenone, 4'-methoxy-; W200506_ALDRICH; p-Methoxyphenyl methyl ketone; 4-Methoxyphenyl methyl ketone; ST5213402; Methyl p-methoxyphenyl ketone; 4′-Methoxyacetophenone; 100-06-1; Linarodin; 4-Methoxyacetophenone; p-Methoxyacetophenone; 4-Methoxy-acetophenone; 1-(4-Methoxyphenyl)ethanone; 64710_FLUKA; NSC5601 |
C9H10O2 |
150.17 |
CC(=O)C1=CC=C(C=C1)OC |
|
TCMBANKIN058936 |
Hypnon |
1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone |
C8H8O |
120.15 g/mol |
CC(=O)C1=CC=CC=C1 |
|
TCMBANKIN058937 |
WLN: QR BV1;1-(2-hydroxyphenyl)ethanone |
EINECS 204-288-0; Methyl 2-hydroxyphenyl ketone; NSC44452; o-Hydroxyphenyl methyl ketone; AI3-12134; AIDS-017966; Acetophenone, o-hydroxy-; 1-(2-Hydroxyphenyl)ethanone; NSC16933; AIDS017966; FEMA No. 3548; 2-Acetylphenol; Usaf ke-20; o-Acetylphenol; NSC9263; ST5213425; 2-Hydroxyphenyl methyl ketone; BRN 0386123; InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H; ACETOPHENONE,2-HYDROXY; Acetophenone, 2'-hydroxy-; 2′-Hydroxyacetophenone; o-Hydroxyacetophenone; 54150_FLUKA; 118-93-4; 4-08-00-00320 (Beilstein Handbook Reference); NSC 16933; H18607_ALDRICH; Ethanone, 1-(2-hydroxyphenyl)-; ZINC01699884; 2'-Hydroxyacetophenone; W354805_ALDRICH; Acetophenone, 2'-hydroxy- (8CI) |
C8H8O2 |
136.15 g/mol |
CC(=O)C1=CC=CC=C1O |
|
TCMBANKIN058939 |
2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone |
2-acetylfuran;BG01496319; InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H; FT-0610977; Acetylfuran; CHEBI:59983; MolPort-000-871-221;Acetylfuran; NSC 49133; NSC49133; Ketone, 2-furyl methyl; A16254_ALDRICH; Furan, 2-acetyl-; 48200_FLUKA; FEMA No. 3163; MFCD00003242; |
C6H6O2 |
110.11 g/mol |
CC(=O)C1=CC=CO1 |
|
TCMBANKIN058951 |
2-Pentanone,4-hydroxy-4-methyl- |
Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone |
C6H12O2 |
116.16 g/mol |
CC(=O)CC(C)(C)O |
|
TCMBANKIN058954 |
anisolacetone |
1-(p-Methoxyphenyl)-2-propanone (natural); 64861_FLUKA; NSC 22983; 4-08-00-00460 (Beilstein Handbook Reference); 2-Propanone, 1-(4-methoxyphenyl)-; FEMA No. 2674; 122-84-9; Anisyl methyl ketone; p-Methoxybenzyl methyl ketone; InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H; p-Methoxyphenylacetone; ST5406450; 1-(4-Methoxyphenyl)-2-propanone; 1-(p-Anisyl)-2-propanone; 2-Propanone, 1-(p-methoxyphenyl)-; ghl.PD_Mitscher_leg0.658; (p-Methoxyphenyl)-2-propanone; p-Anisylactone; EINECS 204-578-7; AI3-37913; Anisic ketone; 1-(4-methoxyphenyl)propan-2-one; BRN 2044332; 1-(4-methoxyphenyl)acetone; 4'-Methoxyphenyl-2-propanone; p-Acetonylanisole; W267406_ALDRICH; Anisolacetone; anisketone; 199176_ALDRICH; 4-Methoxyphenylacetone; 2-Propanone, (p-methoxyphenyl)-; 1-(p-Methoxyphenyl)-2-propanone; NSC46101; ZINC01848437; NSC22983; 4-Methoxybenzyl methyl ketone; Anisalacetone |
C10H12O2 |
164.2 |
CC(=O)CC1=CC=C(C=C1)OC |
|
TCMBANKIN058958 |
LEVA |
gamma-Ketovaleric acid; .gamma.-Ketovaleric acid; 3-Acetylpropionsaeure; Levulinsaeure; InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8; Valeric acid, 4-oxo-; 4-03-00-01560 (Beilstein Handbook Reference); NSC3716; CHEBI:45630; .beta.-Acetylpropionic acid; AIDS017682; LMFA01060006; AI3-03377; ST5213942; 3-Ketobutane-1-carboxylic acid; Laevulinic acid; 4-Ketovaleric acid; 4-Oxopentanoic acid; 4-Oxovaleric acid; WLN: QV2V1; NSC 3716; Usaf cz-1; Acidum laevulinicum; PENTANOIC ACID,4-OXO MFC5 H8 O3; 3-Acetylpropionic acid; 4-Oxopentansaeure; Pentanoic acid, 4-oxo; Propionic acid, 3-acetyl-; BRN 0506796; EINECS 204-649-2; beta-Acetylpropionic acid; 4-oxo-pentanoic acid; 123-76-2; Pentanoic acid, 4-oxo-; Laevulic acid; Acetopropionic acid; Levulinic acid; VALERIC ACID, 4-OXO-(LEVULINIC ACID); Levulic acid; Laevulinsaeure; FEMA No. 2627; AIDS-017682; levulinic acid; 4-oxopentanoic acid |
C5H8O3 |
116.12 g/mol |
CC(=O)CCC(=O)O |
|
TCMBANKIN058968 |
Tereton |
ACETIC ACID,METHYL ESTER; Devoton; FEMA Number 2676; W267619_ALDRICH; Ethyl ester of monoacetic acid; Methylacetat; 79-20-9; Methyl acetic ester; FEMA No. 2676; METHYL ACETATE; EINECS 201-185-2; ZINC01597766; Methylacetat [German]; Metile (acetato di); WLN: 1VO1; acetic acid methyl ester; CCRIS 5846; 45999_FLUKA; Acetate de methyle; Metile (acetato di) [Italian]; Methylacetaat [Dutch]; UN1231; Acetate de methyle [French]; InChI=1/C3H6O2/c1-3(4)5-2/h1-2H; 45997_FLUKA; Methylacetaat; 186325_ALDRICH; NSC 405071; 45998_FLUKA; Methylester kiseliny octove; Methyle (acetate de) [French]; HSDB 95; 296996_ALDRICH; W267600_ALDRICH; Acetic acid, methyl ester; Methyl ethanoate; Methyle (acetate de); Octan metylu; Methyl acetate [UN1231] [Flammable liquid]; NCGC00090940-01; Methyl acetate (natural); Methylester kiseliny octove [Czech]; Octan metylu [Polish]; NSC405071 |
C3H6O2 |
74.08 |
CC(=O)OC |
|
TCMBANKIN058990 |
forskolin |
coleonol |
C22H34O7 |
410.5 g/mol |
CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O |
|
TCMBANKIN058991 |
Fenchylacetat |
Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN059034 |
anomalamide |
Asperglaucide; asperglaucide; N-benzoylphenylalanyl-L-phenylalaninol acetate; aurantiamide acetate; aurentiamide acetate; aurantiamide acetate; [(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate; AC1NT07U |
C27H28N2O4 |
444.52 |
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
|
TCMBANKIN059066 |
L-Milchsaeure |
L-Lactic acid; CHEBI:422; L6402_SIGMA; Propanoic acid, 2-hydroxy-, (S)-, homopolymer; nchembio867-comp9; 26811-96-1; 79-33-4; (S)-()-Lactic acid; L-()-Lactic acid; 46937_SUPELCO; (2S)-2-hydroxypropanoic acid; C00186; InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6; 27715_RIEDEL; (2S)-2-Hydroxypropanoic acid homopolymer; L1750_SIGMA; 199257_ALDRICH; 69771_FLUKA |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN059070 |
BU3 |
237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN059076 |
Usaf cs-6 |
Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))- (9CI); (-)-Norephedrine; (R-(R*,S*))-alpha-(1-Aminoethyl)benzyl alcohol; Benzyl alcohol, alpha-(1-aminoethyl)-, (-)-; 492-41-1; Spectrum2_000016; Norephedrine, (-)-; Mydriatin; PDSP2_001333; KBioGR_001385; (1R,2S)-(−)-Norephedrine; Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaR)-; Benzyl alcohol,.alpha.-(1-aminoethyl)-; l-Norephedrine; SPBio_000051; Spectrum4_000983;(-)- Norephedrine Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))-; (R,S)-(-)-Norephedrine; Spectrum5_001156; NSC 17704; Spectrum3_000889; (1R,2S)-2-Amino-1-phenyl-1-propanol; NSC17704; Spectrum_001103; (1R,2S)-Norephedrine; 1-Propanol, 2-amino-1-phenyl-, (-)- (9CI); l-Phenylpropanolamine; KBio3_001778; KBio2_001583; 1-Propanol, 2-amino-1-phenyl-; (1R,2S)-2-amino-1-phenylpropan-1-ol; 74530_FLUKA; (1R,2S)-(-)-Norephedrine; EINECS 207-755-7; PDSP1_001349; L-(−)-Norephedrine; 282553_ALDRICH; KBioSS_001583; Fenilpropanolamina [Italian]; WLN: ZY1&YQR -L; KBio2_006719; erythro-(1R,2S)-Norephedrine; KBio2_004151; (-)-Norephedrin; InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s; (-)- Norephedrine |
C9H13NO |
151.21 |
CC(C(C1=CC=CC=C1)O)N |
|
TCMBANKIN059077 |
Tybraine |
(1R,2S)-(−)-N-Methylephedrine; SPBio_001271; SPECTRUM2300220; Spectrum2_001196; Spectrum4_000739; 66893_FLUKA; Methylephedrine [BAN]; KBio2_000911; IDI1_000283; KBio2_006047; N-METHYL(-)EPHEDRINE; (−)-N-Methylephedrine; L-erythro-2-Dimethylamino-1-phenylpropanol; (1R,2S)-2-dimethylamino-1-phenyl-propan-1-ol; KBioSS_000911; [R-(R*,S*)]-alpha-[1-(Dimethylamino)ethyl]benzenemethanol; EINECS 209-022-7; KBio2_003479; KBio3_001581; 235210_ALDRICH; Spectrum5_001055; (1R,2S)-2-dimethylamino-1-phenylpropan-1-ol; NINDS_000283; BSPBio_002361; Spectrum3_000671; KBio1_000283; L-erythro-alpha-(1-Dimethylaminoethyl)benzylalkohol; (−)-(1R,2S)-2-Dimethylamino-1-phenylpropanol; Spectrum_000431; (1R,2S)-(−)-2-Dimethylamino-1-phenylpropanol; DivK1c_000283; Benzenemethanol, alpha-((1S)-1-(dimethylamino)ethyl)-, (alphaR)-; KBioGR_001038; (1R,2S)-2-Dimethylamino-1-phenyl-1-propanol;()-N-Methylephedrine;(1S,2R)-()-N-Methylephedrine; 66892_FLUKA; EINECS 214-859-6; 287776_ALDRICH; (1S,2R)-2-dimethylamino-1-phenyl-propan-1-ol; ST5405724; ()-(1S,2R)-2-Dimethylamino-1-phenylpropanol; (1S,2R)-()-2-Dimethylamino-1-phenylpropanol; (R*,S*)-(1)-alpha-(1-(Dimethylamino)ethyl)benzyl alcohol; 1201-56-5; (1S,2R)-2-dimethylamino-1-phenylpropan-1-ol |
C11H17NO |
179.26 g/mol |
CC(C(C1=CC=CC=C1)O)N(C)C |
|
TCMBANKIN059078 |
Psi-ephedrin |
(1S,2S)-(+)-Pseudoephedrine; AIDS-011904; (1S,2S)-2-Methylamino-1-phenyl-1-propanol; PDSP1_001347; Pseudoephedrinum [INN-Latin]; KBioGR_001763; KBio2_003926; L(+)-psi-Ephedrine; (1S,2S)-Pseudoephedrine, polymer-bound; IDI1_000451; (1S,2S)-()-Pseudoephedrine; NCGC00015408-01; 649031_ALDRICH; Spectrum2_001303; PSEUDOEPHEDRINE; Pseudoefedrina [INN-Spanish]; Pseudoephedrine, (+)-; Isoephedrine; Spectrum4_001162; 82545_FLUKA; Lopac-E-3250; NINDS_000451; 304-87-0; ()-psi-Ephedrine; d-Pseudoephedrine; (+)-(1S,2S)-Pseudoephedrine; (+)-psi-Ephedrine; KBio3_002762; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)- (9CI); Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-; 30987-59-8; C02765; (1S,2S)-Pseudoephedrine; alpha-(1-(Methylamino)ethyl)benzyl alcohol; (+)-threo-Ephedrine; Psi-ephedrine; L-(+)-Pseudoephedrine; 287636_ALDRICH; (+)-Pseudoephedrine; KBioSS_001358; HSDB 3177; psi-Ephedrine, (+)-; BB_NC-1383; (1S,2S)-2-methylamino-1-phenyl-propan-1-ol; (1S,2S)-2-methylamino-1-phenylpropan-1-ol; Spectrum_000878; AIDS011904; (1S,2S)-()-2-Methylamino-1-phenyl-1-propanol; KBio1_000451; ()-Pseudoephedrine; Pseudoephedrine (D); trans-Ephedrine; KBio2_006494; Pseudoephedrine, L-(+)-; alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-; DivK1c_000451; d-psi-Ephedrine; 90-82-4; 37577-31-4; Spectrum3_001771; BSPBio_003261; SPBio_001365; Spectrum5_000650; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaS)-; EINECS 202-018-6; d-psi-2-Methylamino-1-phenyl-1-propanol; d-Isoephedrine; KBio2_001358; NCI60_002955;d-pseudoephedrine;(+)pseudoephedrine;ephedine;1-ephedrine;l-Pseudoephedrine;pseudoephedrine;Eciphin;ephedrine;AC1Q3XJM; (-)-(1R,2R)-Pseudoephedrine; EC 206-292-8; (-)-; (1r,2r)-pseudoephedrine; Pseudoephedrine, (-)-; (R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol; CHEMBL2110905; (+)-EPHEDRINE HYDROCHLORIDE; Opera_ID_462; (1R,2R)-2-Methylamino-1-phenyl-1-propanol; C-33392; LS-125921; (-)-threo-Ephedrine; (1R 2R)-(-)-PSEUDOEPHEDRINE; l-(1R,2R)-Pseudoephedrine; FT-0771224; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol; Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-; (-)-Pseudoephedrine 1.0 mg/ml in Methanol; MLS000069657; D(-)-Pseudoephedrine; DTXSID90185895; (1R,2R)-(-)-2-(Methylamino)-1-phenylpropanol; AC1L1Y3M; AC1Q3XJN; (1R,2R)-(-)-Pseudoephedrine; S76J9U46ST; (-)-psi-Ephedrine; Benzenemethanol, alpha-(1-;(-)-(1R,2R)-Pseudoephedrine; (R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol; Pseudoephedrine, (-)-; (1R,2R)-2-Methylamino-1-phenyl-1-propanol; (-)-threo-Ephedrine; (1R,2R)-(−)-Pseudoephedrine; 287644_ALDRICH; l-(1R,2R)-Pseudoephedrine; Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-; (1R,2R)-2-methylamino-1-phenylpropan-1-ol; MLS000069657; (1R,2R)-2-methylamino-1-phenyl-propan-1-ol; (1R,2R)-(-)-Pseudoephedrine; (-)-psi-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,R*))-; CPDD 0049; D-(-)-Pseudoephedrine; (1R,2R)-Ephedrine; (-)-Pseudoephedrine; (−)-Pseudoephedrine; SMR000059174; (1R,2R)-(−)-2-(Methylamino)-1-phenylpropanol; PDSP1_001343; (−)-psi-Ephedrine; 7009-81-6; PDSP1_001346; EINECS 206-292-8; 82547_FLUKA;Symptom 2; Dimetapp Decongestant; AK402032; CoAdvil; 1S,2S-(+)-Pseudoephedrine hydrochloride; Pseudoephedrine, (+)-; (1S,2S)-2-(1/4)x degrees +/->>u-1-+/-(1/2)+/-u (1/4) NIEaNI; PSEUDOEPHEDRINE HYDROCHLORIDE; Dorcol; MLS001304069; BG00603638; Rhinalair; EC 206-462-1; Efidac 24 Pseudoephedrine Hcl; d-I+/-Ae>>AE(1/4)i NIEaNI; SCHEMBL33285; AKOS027383893; NSC-106567; (+)-Pseudoephedrine hydrochloride, >=98%; NSC33634; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))- (9CI); Topcare 12 hour decongestant; Actifed Sinus Daytime; Isoephedrine Hydrochloride; (+)-Pseudoephedrine hydrochloride, Sigma Reference Standard; CPDD 0050; (1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride; HMS1920N04; Pseudoephedrine hydrochloride [USAN]; NSC759616; (+)-; 345-78-8; AN-23411; D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride; d-Pseudoephedrine hydrochloride; API0003970; Pharmakon1600-01500516; SPECTRUM1500516; Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference Standard; psi-Ephedrine Hydrochloride; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride; P1654; Sudomyl; Sudafed 12 Hour; Contac Day & Night Allergy Sinus Day Caplets; x-Ae>>AE(1/4)i NIEaNI; Sudafed Liquid, Children's; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-; Pseudoephedrine, L-(+)-; Benzenemethanol, hydrochloride, [S-(R*,R*)]-; NSC-759616; D00485; Sudafed 24 Hour; Pseudoephedrine hydrochloride [USAN:USP]; Ornex and Maximum Strength Ornex; (+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base); 345P788; LS-125924; Sine-Off Maximum Strength No Drowsiness Formula Caplets; CHEMBL1200724; NSC 33634; Tylenol Sinus Medication, Maximum Strength; Suphedrine; Deconsal II; D-[.alpha.-(1-Methylamino)ethyl]benzyl alcohol hydrochloride; Pseudoephedrine hydrochloride (USP); Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-; Sudafed (TN); (+)-Pseudoephedrine hydrochloride; 56979-55-6; UNII-6V9V2RYJ8N; CHEBI:8604; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride; Histalet Syrup; L-(+)-Pseudoephedrine hydrochloride; NSC-33634; Sun mark sinus; AC1L1TCY; C10H15NO.HCl; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochloride; Pseudoephedrine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material; Tussaphed; Nexafed; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-; First sign; L(+)-Pseudoephedrine hydrochloride; NSC106567; W-106727; Sinufed; Benzenemethanol, hydrochloride, S-(R,R)-; Pseudoephedrine, hydrochloride, L-(+)-; SMR000718787; Otrinol; Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard; Pseudoephedrine Hcl; CCG-39241; NSC 106567; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol hydrochloride; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-; Novafed; Besan; BB_NC-1383; Sudafed hydrochloride; WLN: QYR & Y1 & M1 & GH-L; C-09673; Pseudophedrine hydrochloride; 6272-89-5; 6V9V2RYJ8N; PediaCare Decongestant Drops; d-OiAe>>AE(1/4)i NIEaNI; BALXUFOVQVENIU-KXNXZCPBSA-N; EINECS 206-462-1; Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard;PDSP2_001330; (1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol; AIDS002645; (-)-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-; (1R,2S)-(−)-2-Methylamino-1-phenyl-1-propanol; 1-alpha-(1-Methylaminoethyl)benzyl alcohol; Ephedrine l-form; Ephedrine [USAN:BAN]; 134-72-5(SULFATE 2:1); 50-98-6 (HYDROCHLORIDE); C01575; 45261_FLUKA; D00124; L-(-)-Ephedrine; Ephedremal; (1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol; (1R,2S)-(−)-Ephedrine; NSC 170951; CHEBI:15407; (1R,2S)-2-methylamino-1-phenyl-propan-1-ol; Ephedral; AIDS-002645; Ephedrine (TN); 50906-05-3 (HEMIHYDRATE); AI3-02761; 134910_ALDRICH; L-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-; Ephedrine; NSC 8971; (1R,2S)-2-methylamino-1-phenylpropan-1-ol; 6912-63-6; 6912-63-6 (DELETED); HSDB 3072; (1R,2S)-2-Methylamino-1-phenyl-1-propanol; Ephedrine (USP); (−)-Ephedrine; EINECS 206-080-5; alpha-Hydroxy-beta-methyl amine propylbenzene; L-erythro-2-(methylamino)-1-phenylpropan-1-ol; 1-Phenyl-1-hydroxy-2-methylaminopropane; 2-Methylamino-1-phenyl-1-propanol; PDSP2_001327; alpha-Hydroxy-beta-methylaminopropylbenzene; (L)-EPHEDRINE; 1-2-Methylamino-1-phenylpropanol; l-alpha-(1-Methylaminoethyl)benzyl alcohol; (1R,2S)-(−)-alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-; (-)-alpha-(1-Methylaminoethyl)benzyl alcohol; 1-Sedrin; 321-96-0; Lopac0_000501; (1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane; alpha-(1-(Methylamino)ethyl)benzenemethanol; 321-96-0 (DELETED); 299-42-3; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; Biophedrin;SCHEMBL8098202; CHEMBL1620154; ephedrine ; (s)-2-methylamino-1-phenylpropan-1-ol; (1S)-1-Phenyl-2-(methylamino)-1-propanol |
C10H15NO |
165.23 |
CC(C(C1=CC=CC=C1)O)NC |
|
TCMBANKIN059087 |
Synox TBC |
4-tert-butylbenzene-1,2-diol; 23193_RIEDEL; 1,2-Dihydroxy-4-tert-butylbenzene; 4-06-00-06014 (Beilstein Handbook Reference); 4-tert-Butyl-1,2-benzenediol; 23195_RIEDEL; p-t-Butylpyrocatechol; 4-tert-Butylpyrocatechol; 4-tert-Butyl-pyrocatechol; p-tert-Butylpyrocatechol; WLN: QR BQ DX1 & 1 & 1; 23194_RIEDEL; 4-tert-Butyl-1,2-dihydroxybenzene; 4-tert-Butylcatechol solution; p-tert-Butyl catechol; 19671_FLUKA; NSC5310; AIDS-017768; 4-T-BUTYLCATECHOL; NSC 5310; 4-t-Butylpyrocatechol; CCRIS 3332; EINECS 202-653-9; AI3-24363; NCGC00091483-01; 19670_FLUKA; 4-tert-Butylcatechin; 03865_FLUKA; ZINC00388150; 4-tert-Butylpyrokatechin [Czech]; 4-TBC; NCGC00091483-02; AIDS017768; 1,2-Benzenediol, 4-(1,1-dimethylethyl)-; 98-29-3; 124249_ALDRICH; p-tert-Butylcatechol; t-Butyl catechol; Pyrocatechol, 4-tert-butyl-; 4-tert-Butylcatechol; BRN 2043335;4-[1,1-Dimethylethyl]-1,2-benzenediol |
C10H14O2 |
166.22 |
CC(C)(C)C1=CC(=C(C=C1)O)O |
|
TCMBANKIN059089 |
tert-butylbenzene |
t-butyl benzene; F1908-0117; Dimethylethylbenzene; W-100096; (tert-butyl)benzene; FT-0631505; tert.butylbenzene; HSDB 5315; tert-butyl benzene; A845799; WLN: 1X1 & 1 & R; tert-Butylbenzene, analytical standard; tertiary-Butylbenzene; UNII-M1R2NME7S2; Benzene, (1,1-dimethylethyl)-; NSC 6557; EINECS 202-632-4; NCGC00248088-01; tert-Butylbenzene, 99%; STR09192; B0715; NCGC00254436-01; AN-24475; DTXSID3047138; 1,1-Dimethylethyl-benzene; AI3-00118; DB-057706; 25087-41-6; Z1262252911; 2-methyl-2-phenylpropyl; Benzene, t-butyl-; AKOS000120008; AJ-30215; I01-0112; AC1Q1HYI; M1R2NME7S2; DSSTox_CID_27138; NSC-6557; ST2413956; ZINC1693606; S0661; YTZKOQUCBOVLHL-UHFFFAOYSA-N; DSSTox_GSID_47138; 2-phenyl-iso-butane; Benzene, tert-butyl-; SBB040882; LS-29364; TR-030281; benzene,(1,1-dimethylethyl)-; ST50214479; DSSTox_RID_82145; CTK3J0658; (1,1-dimethylethyl)-benzen; L690; T-BUTYLBENZENE; Tox21_300540; RTR-030281; (tert-Butyl)benzen; ACMC-20ajki; InChI=1/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H; CAS-98-06-6; AC1L1OLJ; MolPort-000-872-044; MCULE-8566444437; Phenyltrimethylmethane; Trimethylphenylmethane; K762; (2-methyl-2-propyl)benzene; benzene,1,1-dimethylethyl-; Pseudobutylbenzene; 2-Methyl-2-phenylpropane; Dimethylethylbenzene (VAN); STL264211; TRA0063605; AK116992; CHEMBL1797277; KB-11855; KSC490M5R; UN 2709 (Related); 4-t-butylbenzene; 22904-43-4; 1998/6/6; t-BuPh; 4-tert-butylphenyl; NSC6557; tert.-butylbenzene; tert-Butylbenzene; KS-00000VKW; MFCD00008816; 1,1-Dimethylethylbenzene; RP20161; tert-butyl-benzene; Benzene, (1,1-dimethylethyl)-; Dimethylethylbenzene; NSC 6557; Pseudobutylbenzene; EINECS 202-632-4; 2-Methyl-2-phenylpropane; Dimethylethylbenzene (VAN); Benzene, tert-butyl-; 19640_FLUKA; HSDB 5315; 98-06-6; B90602_ALDRICH; AI3-00118; WLN: 1X1 & 1 & R; NSC6557; InChI=1/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H; tert-Butylbenzene; Phenyltrimethylmethane; 19650_FLUKA; 1,1-Dimethylethylbenzene; Trimethylphenylmethane; tertiary-Butylbenzene; ST5214479; T-BUTYLBENZENE |
C10H14 |
134.22 g/mol |
CC(C)(C)C1=CC=CC=C1 |
|
TCMBANKIN059090 |
tert-Butylurea |
FR-2318; N-tert-Butylurea; 1118-12-3; (1,1-Dimethylethyl)urea; BRN 1744501; 4-04-00-00665 (Beilstein Handbook Reference); NSC4604; Urea, tert-butyl-; 19939_FLUKA; EINECS 214-257-3; SBB008606; NSC 4604; Urea, (1,1-dimethylethyl)-; ZINC00397497 |
C5H12N2O |
116.16 |
CC(C)(C)NC(=O)N |
|
TCMBANKIN059092 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol; yomogi alcohol a |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
TCMBANKIN059095 |
2-methyl-3-buten-2-ol |
alpha,alpha-Dimethylallyl alcohol; 2-methylbut-3-ene-2-ol; 3-Hydroxy-3-methylbutene; TRA0020327; Methylbutenol; DTXSID3047471; 2-METHYL-3-BUTEN-2-OL; 1,1-Dimethyl-2-propen-1-ol; CAS-115-18-4; CTK0H5270; CHEBI:132752; .alpha.,.alpha.-Dimethylallyl alcohol; ACMC-1C7AH; 1,1-Dimethyl-2-propenyl alcoho; 3-Hydroxy-3-methyl-1-butene; isoprenyl alcohol; NCGC00357265-01; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); RTR-034118; 2-Methyl-3-buten-2-ol, analytical standard; 3-methylbut-1-en-3-ol; AN-22741; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 1-dimethyl-2-propenol; UNII-SH64HE46L9; Dimethylvinylmethanol; NSC15977; 1,1-dimethyl-2-propenyl alcohol; STOCK1N-73566; 2-vinyl-2-propanol; 1,1-Dimethylallyl alchol; 3-Methyl-1-butene-3-ol; MCULE-5809739830; 3-Methyl-buten-(1)-ol-(3) [German]; 2-Methyl-3-butene-2-ol; 2-hydroxy-2-methyl-3-butene; methyl-3-buten-2-ol, 2-; 2-methyl-but-3-en-2-ol; 3-methyl-but-1-en-3-ol; NSC-15977; 115-18-4; KSC175E7B; AC1Q718W; KB-68998; Jsp001113; AKOS009156785; SH64HE46L9; 1,1-Dimethyl-2-propanol; AC1L1QLP; 1, 1-Dimethyl-2-propenol; C5H10O; BRN 1698263; CJ-29489; ZINC1733761; 2-Methyl-3-buten-2-ol, 98%; 2-Methyl-2-hydroxy-3-butene; EINECS 204-068-4; I14-17405; LS-47240; 3-hydroxy-3-methylbut-1-ene; NSC 15977; 3-methyl-3-hydroxybut-1-ene; 3-Buten-2-ol, 2-methyl-; EC 204-068-4; Dimethylvinylcarbinol; dimethyl vinyl carbinol; FT-0612937; DSSTox_GSID_47471; C21402; Tox21_303823; 2-Methyl-3-buten-2-ol, >=98%; 1-dimethylallyl alcohol; MolPort-001-792-058; 3-methyl-buten-3-ol; 7316AF; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 2-Methyl but-3-ene-2-ol; 1-Buten-3-ol, 3-methyl-; 2-Methyl-3-buten-2-yl alcohol; M0178; 3-Methyl-1-buten-3-ol; TR-034118; HNVRRHSXBLFLIG-UHFFFAOYSA-N; 1,1-Dimethyl-2-propenol; DSSTox_CID_27471; Vinyldimethylcarbinol; CH2=CHC(CH3)2OH; ANW-16850; KS-00000UWF; DB-060705; MFCD00004470; 2-Methylbut-3-en-2-ol; 3-Methyl-buten-(1)-ol-(3); AC1Q1NNW; 1, 1-Dimethylallyl alcohol1,1-Dimethylallyl alchol; alpha,alpha-Dimethylallyl alcohol; 2-Methyl-3-buten-2-ol; 3-Hydroxy-3-methylbutene; EINECS 204-068-4; 66090_FLUKA; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 3-Methyl-buten-(1)-ol-(3) [German]; .alpha.,.alpha.-Dimethylallyl alcohol; 1-Buten-3-ol, 3-methyl-; 115-18-4; 2-Methyl-3-buten-2-yl alcohol; 3-Methyl-1-buten-3-ol; W503908_ALDRICH; 3-Hydroxy-3-methyl-1-butene; NSC 15977; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); 3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propanol; Vinyldimethylcarbinol; ZINC01733761; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 2-Methylbut-3-en-2-ol; BRN 1698263; Dimethylvinylcarbinol; Dimethylvinylmethanol; 136816_ALDRICH; 1,1-Dimethyl-2-propenol; NSC15977; 2-Methyl-2-hydroxy-3-butene |
C5H10O |
86.13 g/mol |
CC(C)(C=C)O |
|
TCMBANKIN059097 |
1-Hydroxycumene |
alpha,alpha-Dimethylbenzyl alcohol; 2-Phenyl-2-propanol; P30802_ALDRICH; alpha,alpha-Dimethylbenzenemethanol; 617-94-7; .alpha.-Cumyl alcohol; EINECS 210-539-5; alpha,alpha-Dimethylbenzene methanol; 2-Propanol, 2-phenyl-; Phenyldimethylcarbinol; NSC1261; Dimethyl phenyl carbinol; 2-PHENYLISOPROPANOL; Benzyl alcohol, .alpha.,.alpha.-dimethyl-; Dimethylphenylmethanol; BRN 1905012; NSC 1261; NSC212537; Benzenemethanol, .alpha.,.alpha.-dimethyl-; NSC 212537; 4-06-00-03219 (Beilstein Handbook Reference); 2-Phenylpropan-2-ol; HSDB 5718; InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H; .alpha.,.alpha.-Dimethylbenzyl alcohol; Benzyl alcohol, alpha,alpha-dimethyl-; Benzenemethanol, alpha,alpha-dimethyl-; alpha-Cumyl alcohol; 78940_FLUKA; Dimethylphenylcarbinol; AI3-05532; ZINC01591819;α,α-dimethylbenzene methanol;2-phenyl-2-propanol;alpha-dimethylbenzene methanol |
C9H12O |
136.19 |
CC(C)(C1=CC=CC=C1)O |
|
TCMBANKIN059113 |
Myrcenol;2-methyl-6-methylene-7-octen-2-ol |
2-methyl-6-methylidene-oct-7-en-2-ol; 4-01-00-02280 (Beilstein Handbook Reference); 543-39-5; 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-; 2-methyl-6-methylideneoct-7-en-2-ol; BRN 1744474; 2-Methyl-6-methylene-7-octen-2-ol; EINECS 208-843-8; 2-Methyl-6-methyleneoct-7-en-2-ol; 3-Methylene-7-methyl-1-octen-7-ol; myrcenol; 2-methyl-6-methylene-oct-7-en-2-ol |
C10H18O |
154.25 |
CC(C)(CCCC(=C)C=C)O |
|
TCMBANKIN059114 |
PAU |
b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]- (9CI); 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid; PANTOTHENOIC ACID; BRN 1727064; (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine; N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-; Pantothenic acid, D- (8CI); Chick antidermatitis factor; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid; beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-; Pantothenic acid, D-; 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid; 4-04-00-02569 (Beilstein Handbook Reference); beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI); CHEBI:46905; EINECS 201-229-0; (D)-(+)-Pantothenic acid; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid; HSDB 1020; Kyselina pantothenova [Czech]; C00864; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; (R)-pantothenic acid; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid; 10-20-8; N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE; (R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine; 3563-85-7; (+)-Pantothenic acid;pantothenic acid |
C9H17NO5 |
219.24 |
CC(C)(CO)C(C(=O)NCCC(=O)O)O |
|
TCMBANKIN059127 |
3-methyl butanone |
MIPK; EINECS 209-264-3; NSC 9379; 3-Methyl-2-butanone; WLN: 1Y1&V1; 59600_FLUKA; Methylbutanone (VAN); Methylbutanone; 2-Acetylpropane; 2-Methyl-3-butanone; 3-Methylbutan-2-one [UN2397] [Flammable liquid]; 3-methylbutan-2-one; 3-Methyl butanone; Caswell No. 555A; Methyl isopropyl ketone; Methyl butanone-2; EPA Pesticide Chemical Code 044104; Isopropyl methyl ketone; InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H; 537721_SIAL; 46212_RIEDEL; 563-80-4; 2-Butanone, 3-methyl-; UN2397; ZINC01699949; 3-Methylbutanone; 52325-52-7; NSC9379; 2-Acetyl propane; 2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE; AI3-24194; Ketone, isopropyl methyl |
C5H10O |
86.13 g/mol |
CC(C)C(=O)C |
|
TCMBANKIN059136 |
Stellaria cyclopeptide |
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]prop-1-en-2-yl]-3-methylbutanamide; Cyclo(tyrosyl-glycyl-glycyl-alanyl-alanyl-valyl); 137476-73-4; (2S)-2-[[(2S)-2-(alanylamino)propanoyl]amino]-N-[(Z)-2-(4-hydroxyphenyl)-1-[[2-keto-2-(2-ketoethylamino)ethyl]carbamoyl]vinyl]-3-methyl-butyramide; (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[(Z)-2-(4-hydroxyphenyl)-1-[[2-oxo-2-(2-oxoethylamino)ethyl]carbamoyl]vinyl]-3-methyl-butanamide; (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]prop-1-en-2-yl]-3-methyl-butanamide; Cyclo(tyr-gly-gly-ala-ala-val); (2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[(Z)-2-(4-hydroxyphenyl)-1-[oxo-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]methyl]vinyl]-3-methylbutanamide;stellarria cyclopeptide |
C24H34N6O7 |
518.56 |
CC(C)C(C(=O)NC(=CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC=O)NC(=O)C(C)NC(=O)C(C)N |
|
TCMBANKIN059158 |
Dasycarpamin |
dasycarpamin; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]carbostyril; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one;dasycarpamine |
C17H21NO4 |
303.35 |
CC(C)C=CC1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC |
|
TCMBANKIN059159 |
capsaicin |
8-Methyl-N-vanillyl-6-nonenamide, (E)-; AKOS007930159; Bio-0615; GTPL2486; Bio2_000748; EPA Pesticide Chemical Code 070701; Zostrix HP; S07O44R1ZM; TC-030399; 360376_ALDRICH; NCGC00017337-07; Citrus Aurantium 30%; AK589917; ZOSTRIX (TN); HMS2230O23; D0U5CE; HMS1989N10; IDI1_034018; DSSTox_GSID_20241; Isodecenoic acid vanillylamide; NGX-7325; NCGC00017337-04; HMS1791N10; NCGC00090853-08; NCGC00090853-11; KBio3_000536; (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl); NSC-757844; M2028_SIGMA; E-CAPSAICIN; Capsaicin, from Capsicum sp., >=50% (HPLC); (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; MCULE-8056866140; Capsaicin [USP:INN]; NCGC00257869-01; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-; DB06774; trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; SMR000718774; KBioGR_000268; MEGxp0_001448; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-; Caswell No. 158; Prestwick2_000879; KBio1_000354; FEMA No. 3404; Capsaicin, analytical standard; N735; HMS3649N15; SBI-0052593.P002; AJ-26667; BRD-K50590187-001-06-6; CAS_404-86-4; NCGC00017337-02; HMS1921H11; 8-Methyl-N-vanillyl-trans-6-nonenamide; 21750_FLUKA; ZINC01530575; Vanilloid; YKPUWZUDDOIDPM-SOFGYWHQSA-N; MR3H3; (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-; HMS1570P19; capsaicin ; Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8 -methyl-, (E)-; KBio3_000535; Zostrix (TN); KBio2_000783; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-; NCGC00017337-06; Capsaicin, European Pharmacopoeia (EP) Reference Standard; Capsicin; N-(3-Methoxy-4-hydroxybenzyl)-8-methyl-6-nonenamide; KBioSS_000783; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-; Bitter orange extract 30%; N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide; SR-05000001861-5; Capsaicin, certified reference material, TraceCERT(R); CAPSAICIN, NATURAL; DSSTox_RID_75455; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; Capsaicin, Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; depletes Substance P; trans-8-Methyl-N-vanillyl-6-nonenamide; BDBM20461; MolPort-001-742-263; 1217899-52-9; NCGC00090853-03; SR-05000001861; Spectrum_000303; UPCMLD-DP092:001; Capsaicin, >=95%, from Capsicum sp.; Capsaicin (transdermal patch formulation, neuropathic pain); I01-2469; Nonenamide, 8-methyl-N-vanillyl-, (E)-; SR-05000001861-9; CC0144; Transacin; AC1Q46B3; SDCCGMLS-0066678.P001; SR-05000001861-6; Axsain; AN-23437; (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide; (E)-N-(4-Hydroxy-3-methoxybenzyl); (E)8-methyl-N-vanillyl-6-Nonenamide; CCRIS 1588; Capsaicin (JAN/USP); Capsaicin (Natural); trans-Capsaicin-d3; N0C781; trans-8-Methyl-N-vanillylnon; M1149; SC-19636; (E)-N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Styptysat; HMS2097P19; NCGC00017337-11; KBio3_002417; neurotoxic; CHEMBL294199; Capsaicin (in oleoresin of capsicum); NCGC00090853-01; N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Capsaicin [USAN]; Capsicine; NCGC00017337-08; NCGC00017337-09; C06866; N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide; NGX-1998; Tox21_110817; SCHEMBL8086; UNII-S07O44R1ZM; NSC 56353; (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE; BDBM86537; LMFA08020085; N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; KBio2_002836; trans-8-methyl-N-vanillyl-6-nonenamide; NCGC00090853-06; CHEBI:94524; NCGC00090853-09; NCGC00090853-02; Bio2_000268; HMS3402N10; Prestwick_204; Prestwick3_000879; 8-Methyl-N-vanillyl-6E-nonenamide; Spectrum4_001739; 8-Methyl-N-Vanillyl-6-Nonenamide; N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; BSPBio_001548; LS-2138; Capsaicin, United States Pharmacopeia (USP) Reference Standard; KBioGR_002158; EINECS 206-969-8; Bio1_000468; SPBio_002878; KBio2_000268; MFCD00017259; Bio1_001446; nchembio862-comp2; 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl; NSC-56353; NSC757844; DTXSID9020241; Ausanil; HMS501B16; HMS2092D21; EI-125; NCGC00090853-04; AK113598; NCI-C56564; Qutenza; SR-05000001861-4; [(E)-N-(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; Adlea; MLS002154049; (E)-8-Methyl-N-vanillyl-6-nonenamide; Pharmakon1600-01501128; Spectrum5_000538; (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; 6-Nonenamide, (E)-; SCHEMBL8085; AB00053098-11; Capsaicin [in oleoresin of capsicum]; CJ-23980; NCGC00017337-12; HSDB 954; NGX 4010; CAS-404-86-4; BRN 2816484; 4CH-016296; NSC56353; IDI1_000354; RTC-030399; (E)-Capsaicin; TL8002946; NCGC00017337-05; CS-1518; Mioton; BG01597556; DivK1c_000354; 12084_FLUKA; Bio1_000957; AC-10114; AC1LU7K3; UPCMLD-DP092; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; TQ-1018; FT-0082538; Zostrix; NCGC00017337-03; AB00053098_12; SPECTRUM1501128; KS-5181; Prestwick1_000879; Capsaicin, from natural source; NCGC00017337-13; n-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide; Spectrum2_000770; NSC_2548; Prestwick0_000879; BPBio1_001053; NCGC00090853-10; C18H27NO3; NCGC00090853-12; W-5044; CAPSAICINE; SR-05000001861-1; Tox21_200315; HMS1361N10; D00250; (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #; Spectrum3_001449; HY-10448; (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide; BSPBio_002917; ST057183; KBio2_005919; ZINC1530575; SPBio_000820; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NCGC00017337-10; CCG-39908; STL372889; N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide; Capsaicin Patch; UPCMLD-DP092:002; NGX-3781; BBL027836; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; Capsaicin (8-Methyl-N-vanillyl-6-nonenamide); 912457-62-6; HMS2089N11; Capsaicin; epsilon-capsaicin; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NGX-4010; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- (8CI); KBioSS_000268; 21748_FLUKA; Citrus Aurantium Extract; KBio2_005404; TNP00277; trans-Capsaicin; CHEBI:3374; Capsaicin(Qutenza); CITRUS AURANTIUM PE; CAPSAICIN (2444-46-4 NONIVAMIDE (SYNTHETIC CAPSAICIN)); N1667; BSPBio_000957; 4-13-00-02588 (Beilstein Handbook Reference); BRD-K37056290-001-01-1; KBio2_003351; NCGC00090853-07; SMP2_000337; NINDS_000354; Isodecenoate; DSSTox_CID_241; ALGRX 4975; 404-86-4; CAPSAICINOIDS;Vanilloid;campsiol;capsaicin |
C18H27NO3 |
305.41 |
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059168 |
Tryptophenolide |
KBio1_001606; KBio2_007338; KBio3_002756; Spectrum2_001618; KBio2_004770; KBio2_002202; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; BSPBio_003528; SDCCGMLS-0066775.P001; hypolide; (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one; Spectrum4_001660; Spectrum5_000539; SPECTRUM1504005; DivK1c_006662; SPBio_001655; Triptophenolide; (3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; KBioGR_002159; Spectrum_001722; Spectrum3_001928; 74285-86-2; SpecPlus_000566; KBioSS_002202 |
C20H24O3 |
312.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O |
|
TCMBANKIN059169 |
neocryptotanshinone ii |
1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AC1NSZ0S;deoxyneocryptotanshinone |
C19H22O3 |
298.4 g/mol |
CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
|
TCMBANKIN059170 |
alpha-elemene |
α- elemene; α--elemene; α-Elemene; α-elemene;(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene; (S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; 5951-67-7; (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene; (6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene;(6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinylcyclohexene |
C15H24 |
204.35 g/mol |
CC(C)C1=CC(=C(C)C)CCC1(C)C=C |
|
TCMBANKIN059172 |
81827-74-9 |
(3bR,9bS)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one;AC1NSZ34; 9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one;neotriptophenolide |
C21H26O4 |
342.43 |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O |
|
TCMBANKIN059175 |
delta-elemene |
delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene |
C15H24 |
204.35 |
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C |
|
TCMBANKIN059177 |
Cumic acid; p-isopropyl benzoic acid |
4-propan-2-ylbenzoate; p-cumic acid; c0378; NSC1907; Benzoic acid, 4-(1-methylethyl)-; cumic acid; CHEBI:28122; AI3-17970; Cuminic acid; p-Cumate; I103; 4-(propan-2-yl)benzoate; ST5135967; EINECS 208-642-5; 4-Isopropylbenzoic acid; AC1MPX3C; CHEBI:25822; 4-isopropylbenzoate; 4-09-00-01843 (Beilstein Handbook Reference); p-cymen-7-oic acid; A829718; 4-(1-methylethyl)benzoate; AIDS-018015; NSC20083; AIDS018015; NSC 1907; ZB005133; cumicacid; C06578; p-Isopropylbenzoic acid; 4-Isopropylbenzene-1-carboxylate; 536-66-3; 4-(propan-2-yl)benzoic acid; 4-propan-2-ylbenzoic acid; Benzoic acid, p-isopropyl- (8CI); 4-(1-Methylethyl)benzoic acid; 268402_ALDRICH; Benzoic acid, p-isopropyl-; CJ-01136; BRN 1907514 |
C10H12O2 |
164.2 g/mol |
CC(C)C1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN059178 |
benzaldehyde,4-(1-methylethyl) |
P-ISOPROPYLBENZALDEHYDE; 4(2-propyl)-benzaldehyde; NSC-4886; 4-(Methylethyl)benzaldehyde; 4-propan-2-ylbenzaldehyde; 4-isopropylbenzaldehyde; NSC4886; WTWBUQJHJGUZCY-UHFFFAOYSA-N; EINECS 204-516-9; (4-isopropyl-phenyl)-methanone; p-Cuminic aldehyde; AJ-24583; KB-39398; AC1Q1P0K; p-(1-methylethyl)benzaldehyde; ZB015528; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; ACMC-1BVEJ; Cumal; C06577; NSC 4886; cumaldehyde; MCULE-4415970320; RP21225; SBB040237; ST50213395; DTXSID9021974; Cumin aldehyde; BDBM50139366; SCHEMBL87226; P-isopropyl benzaldehyde; 4-Isopropyl-benzaldehyde; NCGC00257518-01; TR-030618; cuminic aldehyde; NCGC00248148-01; FEMA No. 2341; 4-(isopropyl)benzaldehyde; LS-2642; p-Isopropylbenzenecarboxaldehyde; CJ-04641; Cuminaldehyde, 98%; AI3-01853; 122-03-2; UNII-O0893NC35F; ANW-17932; p-Isopropylbenzaldehyde, f; 4-(Propan-2-Yl)Benzaldehyde; bmse000508; FT-0624115; 4(isopropyl)benzaldehyde; AN-13943; RTR-030618; Cuminal p-(1-methylethyl)benzaldehyde; KSC176K3D; Cuminadlehyde; DSSTox_RID_76435; ST2418438; MolPort-000-871-215; Cuminaldehyde, analytical standard; p-iso-Propylbenzaldehyde; AC1L18ZP; AS-12957; F2190-0632; EC 204-516-9; ZINC968248; 4-iPr-Benzaldehyde; DSSTox_CID_1974; p-cumic aldehyde; DB-041645; I0168; cuminaldehyde; CHEBI:28671; W-108440; CTK0H6531; AC1Q1ONB; AK-44502; 4-isopropyl benzaldehyde; Cuminyl aldehyde; 4isopropylbenzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; 4-Isopropylphenylcarboxaldehyde; p-isopropyl-benzaldehyde; Benzaldehyde, p-isopropyl-; p-isopropyl benzaldehyde; Cuminaldehyde, >=98%, FCC, FG; I01-7253; Cumic aldehyde; O0893NC35F; 4-Isopropylbenzenecarboxylate; 4-07-00-00723 (Beilstein Handbook Reference); CHEMBL161577; AKOS000119738; BRN 0636547; DSSTox_GSID_21974; Tox21_300712; Cuminaldehyd; MFCD00006953; AC-2430; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; cuminal; CAS-122-03-2; WLN: VHR DY1 & 1;FEMA No. 2341; ZB015528; W-108440; CAS-122-03-2; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; P-ISOPROPYLBENZALDEHYDE; Cumal; C06577; LS-2642; DSSTox_GSID_21974; I01-7253; 4(2-propyl)-benzaldehyde; Cumic aldehyde; TR-030618; EC 204-516-9; Cuminaldehyde, >=98%, FCC, FG; 4-07-00-00723 (Beilstein Handbook Reference); 4(isopropyl)benzaldehyde; DTXSID9021974; CTK0H6531; SCHEMBL87226; KSC176K3D; BRN 0636547; AN-13943; Cumin aldehyde; 122-03-2; P-isopropyl benzaldehyde; MFCD00006953; BDBM50139366; AKOS000119738; p-Isopropylbenzaldehyde, f; AK-44502; p-Isopropylbenzenecarboxaldehyde; AS-12957; EINECS 204-516-9; ZINC968248; Tox21_300712; 4-propan-2-ylbenzaldehyde; cuminic aldehyde; AC1Q1P0K; ST50213395; I0168; CHEMBL161577; NSC-4886; MolPort-000-871-215; p-cumic aldehyde; NCGC00248148-01; 4-iPr-Benzaldehyde; 4-isopropyl benzaldehyde; ACMC-1BVEJ; Cuminaldehyde, 98%; p-(1-methylethyl)benzaldehyde; NSC4886; 4-Isopropyl-benzaldehyde; AJ-24583; Cuminyl aldehyde; 4-isopropylbenzaldehyde; 4-(Methylethyl)benzaldehyde; FT-0624115; MCULE-4415970320; DSSTox_CID_1974; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; Cuminaldehyde, analytical standard; RTR-030618; AC1Q1ONB; F2190-0632; UNII-O0893NC35F; WLN: VHR DY1 & 1; 4-(isopropyl)benzaldehyde; cuminaldehyde; bmse000508; (4-isopropyl-phenyl)-methanone; RP21225; Cuminadlehyde; 4-(Propan-2-Yl)Benzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; ST2418438; WTWBUQJHJGUZCY-UHFFFAOYSA-N; AC-2430; p-iso-Propylbenzaldehyde; Benzaldehyde, p-isopropyl-; 4-Isopropylbenzenecarboxylate; cuminal; NCGC00257518-01; SBB040237; 4-Isopropylphenylcarboxaldehyde; NSC 4886; p-Cuminic aldehyde; KB-39398; AI3-01853; AC1L18ZP; O0893NC35F; Cuminaldehyd; ANW-17932; DSSTox_RID_76435; Cuminal p-(1-methylethyl)benzaldehyde; DB-041645; CHEBI:28671; 4isopropylbenzaldehyde; CJ-04641 |
C10H12O |
148.2 g/mol |
CC(C)C1=CC=C(C=C1)C=O |
|
TCMBANKIN059179 |
Cuminol |
NSC15672; 4-(1-Methylethyl)benzenemethanol; InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H; 4-(1-methylethyl)-benzenemethanol; Cumyl alcohol; WLN: Q1R DY1&1; 4-(1-methylethyl)benzene methanol; p-Cymen-7-ol; 185532-73-4; 4-isopropylbenzyl alcohol; AI3-20440; EINECS 208-640-4; (4-isopropylphenyl)methanol; p-Isopropylbenzyl alcohol; 196037_ALDRICH; BRN 0636665; c0376; NSC 15672; p-cumic alcohol; <i>p</i>-Cumic alcohol; ST5437505; C06576; 4-ISOPROPYLBENZENEMETHANOL; cuminic alcohol; CUMIN ALCOHOL; Cuminylalcohol; ZINC00968247; 4-06-00-03348 (Beilstein Handbook Reference); (4-propan-2-ylphenyl)methanol; Benzyl alcohol, p-isopropyl-; 536-60-7; cuminyl alcohol; Benzenemethanol, 4-(1-methylethyl)-; Cumic alcohol; CPD-1002; FEMA No. 2933; W293318_ALDRICH |
C10H14O |
150.22 |
CC(C)C1=CC=C(C=C1)CO |
|
TCMBANKIN059180 |
1,3-p-Menthadien-7-al |
.alpha.-Terpinen-7-al; 4-isopropylcyclohexa-1,3-diene-1-carbaldehyde; 4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde; p-Mentha-1,3-dien-7-al; 4-isopropyl-1-cyclohexa-1,3-dienecarboxaldehyde;p-mentha-1,3-dien-7al;p-mentha-1,3-dien-7-al |
C10H14O |
150.22 g/mol |
CC(C)C1=CC=C(CC1)C=O |
|
TCMBANKIN059181 |
1-methylethylbenzene |
NaPst;Gedex; Benzene, isopropyl; BENZENE,ISOPROPYL CUMOL; 105270-05-1; 686E; 51609-83-7; Esbrite G 10; Estyrene G-P 4; 61584-90-5; NBS 706; Benzene, (1-methylethyl)-; Estyrene H 61; Dow 860; 11120-46-0; AI3-04630; Afcolene; Copal Z; Krasten 052; Piccolastic A 50; Benzene, (1-methylethyl)-, oxidized, polyphenyl residues; 81834-12-0; Bicolene H; LS 1028E; Carinex GP; MX 4500; Dylite F 40L; 52932-49-7; Bio-Beads S-S 2; 12627-11-1; RCRA waste number U055; Esbrite 2; Estyrene G 15; S 173; (1-Methylethyl)benzene; Propane, 2-phenyl-; Diarex HT 88A; A 3-80; Benzene, ethenyl-, homopolymer; Koplen 2; Bustren; Dow 456; Cosden 550; Dow MX 5514; Carinex tgx/MF; R 3612; NCGC00091155-01; Krasten 1.4; Benzene, (1-methylethyl)-, oxidized, sulfurized by-products; Afcolene 666; 2-Fenilpropano [Italian]; Piccolastic C 125; K 525; HF 77; R 3; 51609-87-1; Dow MX 5516; Esbrite 8; Dylene 9; 475U; Piccolastic A; Diarex HT 88; 68333-89-1; 9055-91-8; Edistir RB; N 4000V; 53112-49-5; Piccolastic; 550P (styrene polymer); Isopropilbenzene [Italian]; 61584-89-2; Afcolene 492; Bustren K 500; Isopropylbenzene; HT-F 76; Piccolastic D-100; Dorvon; BASF III; Isopropylbenzeen; Dorvon FR 100; Dylite F 40; 36698_RIEDEL; Foster grant 834; Dow 1683; HF 55; 54596-41-7; Denka QP3; Piccolastic A 5; 28220_FLUKA; Diarex HT 90; 172641-48-4; HT 88; 2-Fenyl-propaan; 117079-77-3; Piccolastic D; Bicolastic A 75; EINECS 269-798-8; FC-MY 5450; Esbrite LBL; Isopropilbenzene; Lustrex HH 101; Estyrene G 20; Polystyrene resin; Lustrex H 77; C87657_ALDRICH; HHI 11; Pelaspan Esp 109s; Atactic polystyrene; Cumeen [Dutch]; 60328-46-3; C14396; 666U; Diarex HF 55; Latex; Isopropylbenzene [UN1918] [Flammable liquid]; Sulfurized by-product of cumene oxidation; Bustren K 525-19; 55128-06-8; Diarex 43G; Bakelite SMD 3500; Benzene, isopropyl-; Isopropylbenzol; InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H; MX 5517-02; Piccolastic A 25; FG 834; Lustrex HT 88; 68411-37-0; Hostyren N 4000V; Phenol bottoms; Hostyren S; IT 40; CHEBI:34656; Bextrene XL 750; 28230_FLUKA; 98444-30-5; 168N15; BSB-S 40; HSDB 172; Carinex SB 59; Esbrite 500HM; 56451-72-0; Esbrite; Diarex HT 500; 454H; 120037-99-2; Estyrene 500SH; HF 10; Diarex HT 190; MX 5516; NSC8776; NSC 8776; 86090-91-7; ST5214393; Pelaspan 333; Lacqren 506; Ethenylbenzene homopolymer; 2-Fenilpropano; Piccolastic A 75; 68553-94-6; Krasten SB; Bustren Y 825; 98-82-8; Esbrite 4-62; BDH 29-790; BSB-S-E; MX 5514; Esbrite 4; Cadco 0115; 53986-84-8; KR 2537; HH 102; X 600; Cumeen; Carinex SL 273; Hostyren N 4000; 172867-64-0; WLN: 1Y1 & R; Dow 665; Isopropylbenzen; 57657-06-4; KB (Polymer); KM (Polymer); Hostyren N; Esbrite G-P 2; Lustrex; Estyrene 4-62; Benzene, 1-methylethyl-; RCRA waste no. U055; Isopropyl-benzol; 58033-91-3; Carinex HR; 39470-87-6; 2-Fenyl-propaan [Dutch]; BP-Klp; Adion H; Lacqren 550; 2-Phenylpropane; Dylark 250; EINECS 270-120-8; Styrofoam; Diarex YH 476; Bustren U 825; 825TV; Afcolene S 100; HI-Styrol; 144637-93-4; Cosden 945E; Dylene; HT 91-1; Bactolatex; 56748-62-0; Dylene 8G; 31N (styrene polymer); Dylene 8; Propane, 2-phenyl; Ethenylbenzene, homopolymer; Isopropylbenzeen [Dutch]; A 75 (vinyl polymer); Styrene polymer; A 180 (vinyl polymer); 60120-16-3; UN1918; CUMENE; (propan-2-yl)benzene; Bustren Y 3532; Lustrex HP 77; Dow 360; 63849-49-0; Polyphenyl residue; Isopropyl-benzol [German]; Carinex SB 61; Hostyren N 7001; Bustren U 825E11; EINECS 202-704-5; LS 061A; Diarex HF 55-247; Escorez 7404; Cumol; 60880-98-0; 40494-15-3; Diarex HS 77; 9044-64-8; U625; Carinex HRM; Owispol GF; HT 88A; 55465-00-4;cumene |
C9H12 |
120.19 g/mol |
CC(C)C1=CC=CC=C1 |
|
TCMBANKIN059184 |
Dehydromiltirone |
3,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-; AC1MIZGJ; 7,8-Dihydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; SCHEMBL13568177; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-dione; 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-quinone; 1,2-Didehydromiltirone; 2-ISOPROPYL-8,8-DIMETHYL-7H-PHENANTHRENE-3,4-DIONE; 116064-77-8; DTXSID50151273; BG00988852; dehydromiltirone; 9186AF; MolPort-039-141-877; ZINC14594276;280.4 g/mol |
C19H20O2 |
280.36 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
|
TCMBANKIN059188 |
beta-Terpinene |
1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) |
C10H16 |
136.23 |
CC(C)C1=CCC(=C)CC1 |
|
TCMBANKIN059190 |
β-terpineol |
beta-terpineol; β- terpineol; Z-beta-terpineol; β-Terpineol; cis-beta-Terpineol; cis-belta-Terpineol; 1-Terpineol;1-terpineol |
C10H18O |
154.25 |
CC(C)C1=CCC(CC1)(C)O |
|
TCMBANKIN059191 |
IPZ |
2-isopropyl-3-methoxy-pyrazine; 25773-40-4; 2-ISOPROPYL-3-METHOXYPYRAZINE; 243132_ALDRICH; 2-methoxy-3-propan-2-ylpyrazine; ST5307153; 2-Methoxy-3-isopropylpyrazine; Pyrazine, 2-methoxy-3-(1-methylethyl)-; ZINC00156526; 2-methoxy-3-propan-2-yl-pyrazine; EINECS 247-256-1;2-methoxy-3-isopropylpyrazine |
C8H12N2O |
152.19 g/mol |
CC(C)C1=NC=CN=C1OC |
|
TCMBANKIN059195 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN059208 |
trans-p-2-Menthen-1-ol |
(1S,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; trans-p-2-menthen-1-ol; (1S,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1S,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol;2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-; (1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; EINECS 249-859-5; trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; 29803-81-4; (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 117064-02-5;trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN059230 |
isovalericacid |
LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid |
C5H10O2 |
102.13 g/mol |
CC(C)CC(=O)O |
|
TCMBANKIN059249 |
CLR |
5-Cholesten-3b-ol; Hydrocerin; 5:6-Cholesten-3beta-ol; 209124-38-9; Lidinite; 5:6-Cholesten-3.beta.-ol; Tegolan (VAN); C1231_SIGMA; 3-beta-Hydroxycholest-5-ene; Delta5-Cholesten-3beta-ol; C3292_SIGMA; (3H)-Cholesterol; 20808_RIEDEL; S5442_SIGMA; Cholest-5-en-3-ol, (3-.beta.)-; Super hartolan; Cholesterol (JP15/NF); AIDS338945; 5:6-Cholesten-3-ol; nchembio782-comp1; 3beta-Hydroxy-5-cholestene; delta(sup 5)-Cholesten-3-beta-ol; Dusoline; CHOLESTEROL; D00040; C00187; Provitamin D; Wool alcohols B. P.; Cholest-5-en-3-ol, (3beta)-; Synthetic cholesterol; Dythol; CMC_13392; HSDB 7106; 3beta-Hydroxycholest-5-ene; Cordulan; 5,6-Cholesten-3.beta.-ol; Cholest-5-en-3.beta.-ol; 57-88-5; Kathro; Dusoran; (3beta)-cholest-5-en-3-ol; WLN: L E5 B666 LUTJ A1 E1 FY1&3Y1&1 OQ; 3.beta.-Hydroxycholest-5-ene; 26740_FLUKA; Cholesterol base H; Cholest-5-en-3-ol (3beta)-, labeled with tritium; NCGC00159351-02; 80356-14-5; Cholest-5-en-3-ol, (3.beta.)-; Cholestrin; 5-Cholesten-3beta-ol; ZINC03875383; 218965-24-3; 26732_FLUKA; Cholesterin; C8667_SIGMA; 22243-67-0; Lidinit; Phospholipon & Cholesterol; CHEBI:16113; SyntheChol NS0 Supplement; NSC 8798; nchembio.77-comp1; AI3-03112; Lanol; Cholestrol; AIDS080405; Cholest-5-en-3-ol (3beta)-; 5-Cholesten-3.beta.-ol; SyntheChol; NSC8798; Cholesterol solution; Cholesterol [USAN:JAN]; Nimco cholesterol base H; C8503_SIGMA; BB_NC-0135; SMP1_000069; C3137_SIGMA; Cholesterine; 47127U_SUPELCO; Cholest-5-en-3-beta-ol; Nimco cholesterol base No. 712; AIDS-338945; Cholesteryl alcohol; C3045_SIGMA; 14606_FLUKA; Soya phospholipon & Cholesterol (2:1 molar ratio); AIDS-080405; LMST01010001; CCRIS 2834; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholest-5-en-3beta-ol; Cholesterol (TN); EINECS 200-353-2; Tegolan;cholesterol;8(14)-dehydrocholesterol; 177962-82-2; SCHEMBL5347436; cholesta-5,8(14)-dien-3beta-ol; DJNCIOAUQVURTQ-RQZUOROGSA-N |
C27H46O |
386.65 |
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
|
TCMBANKIN059262 |
diisocapryl phthalate;Diop;diisooctyl phthalate;1,2-benzenedicarboxylic acid,diisooctyl ester |
HSDB 588; 1,2-Benzenedicarboxylic acid, diisooctyl ester; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Diisocapryl phthalate; EINECS 248-523-5; Diisooctyl phthalate; 71097-28-4; Phthalic acid, bis(6-methylheptyl)ester; Phthalic acid, diisooctyl ester; AI3-27697-X (USDA); 27554-26-3; Diisooctyl 1,2-benzenedicarboxylate; 1330-91-2; NSC 6381; Di-iso-octyl phthalate; 41375-90-0; benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; C14577; DIISOOCTYL PHTHALATE (SEE 27554-26-3); Hexaplas M/O; 25103-50-8; Corflex 880; Flexol Plasticizer DIOP; 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediyl diisooctyl ester; Isooctyl phthalate |
C24H38O4 |
390.6 g/mol |
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
|
TCMBANKIN059266 |
3-Methylbutyl acetate |
EINECS 204-662-3; 123-92-2; Acetic acid, isopentyl ester; Isoamylester kyseliny octove [Czech]; 3-Methylbutyl acetate; 2-Methylbutyl ethanoate; 3-Methyl-1-butyl acetate; Isoamyl acetate (natural); Isoamyl ethanoate; Isoamyl acetate; Acetic acid, 3-methylbutyl ester; NSC9260; 29732-50-1; 3-Methyl-1-butanol, acetate; CCRIS 6051; 306967_ALDRICH; FEMA No. 2055; Amyl acetate, common; Amylacetic ester; C12296; 3-Methyl-1-butanol acetate; W205532_ALDRICH; beta-Methylbutyl acetate; ST5214469; AI3-00576; Isopentyl ethanoate; FEMA Number 2055; Isoamyl acetate; NCGC00091500-01; HSDB 1818; BRN 1744750; WLN: 1Y1 & 2OV1; 79857_FLUKA; 4-02-00-00157 (Beilstein Handbook Reference); LS-687; ZINC00388082; acetic acid isopentyl ester; In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal; NSC 9260; 112674_ALDRICH; Acetic acid 3-methylbutyl ester; 1-Butanol, 3-methyl-, acetate; W205508_ALDRICH; Isopentyl alcohol, acetate; 3-Methylbutyl ethanoate; Isopentyl acetate; Iso-amyl acetate; acetic acid isoamyl ester; Basil acetate ester; I-Amyl acetate |
C7H14O2 |
130.18 g/mol |
CC(C)CCOC(=O)C |
|
TCMBANKIN059267 |
Apple oil |
Isopentyl alcohol, isovalerate; AI3-06045; Solusterol; Isopentyl 3-methylbutyrate; Isopentyl isovalerate; NSC6565; FEMA No. 2085; C12289; CCRIS 1348; 3-methylbutyric acid isoamyl ester; Isoamyl isovalerianate; Isoamyl valerianate; Isovaleric acid, isopentyl ester; Isopentyl 3-methylbutanoate; Isoamyl 3-methylbutyrate; WLN: 1Y1&2OV1Y1&1; Isoamyl isopentanoate; 659-70-1; Isoamyl isovalerate; Isoamyl 3-methylbutanoate; W208507_ALDRICH; 3-Methylbutyl 3-methylbutyrate; 3-Methylbutyl 3-methylbutanoate; Butanoic acid, 3-methyl-, 3-methylbutyl ester; NSC 6565; Isopentyl isopentanoate; Isoamyl isovalerate (natural); W208515_ALDRICH; Apple essence; BRN 1753884; 3-Methylbutyl isovalerate; 3-methylbutanoic acid isopentyl ester; iso-Amyl isovalerate; LS-2395; EINECS 211-536-1; 4-02-00-00899 (Beilstein Handbook Reference); 3-methylbutyl isovalerate; 3- methylbutylisov alerate |
C10H20O2 |
172.26 g/mol |
CC(C)CCOC(=O)CC(C)C |
|
TCMBANKIN059268 |
guineensine |
55038-30-7; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyl-trideca-2,4,12-trienamide |
C24H33NO3 |
383.5 g/mol |
CC(C)CNC(=O)C=CC=CCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059274 |
Ucar AC |
.beta.-Hydroxyethyl isopropyl ether; InChI=1/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H; Isopropylglycol; 109-59-1; ETHANOL, ISOPROPOXY-; EINECS 203-685-6; 2-Isopropoxyethanol; Ethanol, 2-isopropoxy-; Monoisopropyl ether of ethylene glycol; 107891_ALDRICH; Ethylene glycol, monoisopropyl ether; BRN 1732184; Iso-propyl glycol ether; ZINC01591818; Isopropylethylene glycol ether; beta-Hydroxyethyl isopropyl ether; Isopropyl Cellosolve; NSC 1259; Ethylene glycol isopropyl ether; ISOPROPOXYETHANOL; 59670_FLUKA; Ethanol, 2-(1-methylethoxy)-; Isopropylethanediol; 2-(1-Methylethoxy)ethanol; NSC1259; HSDB 2831; Ethylene glycol monoisopropyl ether; Isopropyl glycol; Dowanal EiPAT; Dowanol EiPAT; AI3-03871; 63992-09-6; WLN: Q2OY1 & 1; 2-propan-2-yloxyethanol; 4-01-00-02380 (Beilstein Handbook Reference); Isopropyl Oxitol |
C5H12O2 |
104.15 |
CC(C)OCCO |
|
TCMBANKIN059329 |
(+)-Anwulignan |
SMR000445701; MLS000728494; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol;macelignan |
C20H24O4 |
328.4 g/mol |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC |
|
TCMBANKIN059330 |
isodihydrofutoquinol a |
|
C21H24O5 |
356.41 |
CC(CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
TCMBANKIN059340 |
5β-cholanicacid |
5 beta-cholanic acid; Cholanoic acid; 5.beta.-Cholanic acid; CHEBI:36238; Cholan-24-oic acid, (5beta)- (9CI); LMST04010441; Cholan-24-oic acid, (5.beta.)-; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid; NSC18161; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; Ursocholanic acid; 5beta-Cholanoic acid; 5beta-Cholan-24-oic acid (8CI); NSC 18161; Androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-; 5beta-Cholan-24-oic Acid; 5.beta.-Cholan-24-oic acid; L 596205-0; 5beta-Cholanic acid; Androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-; (5beta)-cholan-24-oic acid; 546-18-9; 5.beta.-Cholanoic acid; (5beta,17beta)-gamma-methylandrostane-17-butanoic acid |
C24H40O2 |
360.57 |
CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
|
TCMBANKIN059353 |
citronellal |
LMPR0102010007; 6-Octenal,3,7-dimethyl-,(3R)-; NEHNMFOYXAPHSD-SNVBAGLBSA-N; 6-Octenal,3,7-dimethyl-,(3R)-; d-citronellal; (R)-(+)-3,7-Dimethyl-6-octenal; FT-0604386; SCHEMBL457495; 3,7-Dimethyl-(3R)-6-Octenal; 6-octenal,3,7-dimethyl-,(3r)-; (R)-3,7-Dimethyloct-6-enal; 7-dimethyl-(theta)-6-octena; ()-Citronellal; EINECS 219-194-5; (R)-(+)-Citronellal; CHEBI:299; (R)-3,7-dimethyl-6-octenal; C09848; 2385-77-5; (+)-Citronellal; (3R)-3,7-dimethyloct-6-enal; AC1L2OQO; AC1Q6PO2; Citronella Java Oil; (3R)-3,7-Dimethyloct-6-enal (6-Octenal,3,7-dimethyl-,(3R)-); R-3,7-dimethyl-oct-6-enal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; EC 219-194-5; CCG-214393; (R)-(+)-Citronellal,technical grade,90%; 951036-03-6; AC1Q29GM; DTXSID6044482; 6-octenal,3,7-dimethyl-,(r)-; 6-Octenal,3,7-dimethyl-,(R)-; (r)-3,7-dimethyl-oct-6-enal; L-(-)-Citronellal; 3,7-Dimethyl-(3S)-6-Octenal; CHEMBL1081721; CTK8F2012; AC1Q29GL; CJ-24100; L-Citronellal; MFCD00067089; AKOS025311453; A801397; FT-0699573; ZINC1531600; (R)-citronellal; (3R)-3,7-Dimethyl-6-octenal; s-(-)-citronellal; UNII-QB99VZZ7GZ component NEHNMFOYXAPHSD-SNVBAGLBSA-N; 3,7-Dimethyl-6-octenal,(3R)-; 3,7-Dimethyl-(S)-6-Octenal; Citronellol 96%; (R)-(+)-Citronellal; CHEBI:299; 106-23-0; (R)-3,7-dimethyl-6-octenal; LMPR01020055; 2385-77-5; C09848; 343641_ALDRICH; 6-Octenal,3,7-dimethyl-,(3R)-; (3R)-3,7-dimethyloct-6-enal; ZINC01531600; (3R)-3,7-dimethyl-6-octenal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; (R)-3,7-Dimethyloct-6-enal; EINECS 219-194-5 |
C10H18O |
154.25 |
CC(CCC=C(C)C)CC=O |
|
TCMBANKIN059354 |
citronellol |
CHEBI:10360; 3,7 Dimethyl-6-octen-1-al; D-Dihydrogeraniol; MCULE-3946157075; (R)-Citronellol; 3,7-Dimethyl-(3R)-6-Octen-1-ol; FT-0623966; EINECS 214-250-5; AKOS028108897; FT-0772868; (+)-R-Citronellol; (+)-; (3S)-citronellol; (R)-3,7-Dimethyl-6-octen-1-ol; (+)-beta-Citronellol; (R)-beta-Citronellol; D-Citronellol; (R)-(+)-beta-Citronellol; ( inverted exclamation markA)-; (R)-(+)-beta-Citronellol, 98%; AN-20579; DB-060123; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; (+)- -Citronellol; A-Citronellol; AI3-00204; LMPR0102010008; P01OUT964K; b-citronellol; SCHEMBL21321; AC1L2RWB; 3,7-Dimethyl-6-octen-1-ol #; CJ-05233; ZINC1531601; (+)-citronellol; UNII-P01OUT964K; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; NCGC00249168-01; l-Citronellol; (R)-(+)- -Citronellol; QMVPMAAFGQKVCJ-SNVBAGLBSA-N; CITRONELLOL 70; MFCD00063215; (3R)-3,7-dimethyloct-6-en-1-ol; UNII-565OK72VNF component QMVPMAAFGQKVCJ-SNVBAGLBSA-N; (R)-3,7-Dimethyloct-6-en-1-ol; J-511419; (R)-(+)-; (R)-(+)-.beta.-Citronellol; CHEMBL1907993; (R)-(+)-beta -Citronellol; MolPort-002-535-711; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; CITRONELLOL 95; AC1Q7BSO; CIRTONELLOL 90/92; 3,7-Dimethyl-(R)-6-Octen-1-ol; FT-0623965; beta-Citronellol, (R)-; CJ-24101; (R)-3,7-dimethyl-6-octenol; C09849; (R)-(+)-Citronellol; 1117-61-9; A-Citronellol3,7-Dimethyl-6-octen-1-ol; STOCK1N-68491
CHEBI:10360; EINECS 214-250-5; (R)-3,7-Dimethyl-6-octen-1-ol; 303461_ALDRICH; (R)-()-beta-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; AI3-00204; β- citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; LMPR01020056; (3R)-3,7-dimethyloct-6-en-1-ol; ZINC01531601; (R)-3,7-Dimethyloct-6-en-1-ol; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; 106-22-9; C09849; (R)-(+)-Citronellol; 1117-61-9; STOCK1N-68491
C11386; (3S)-3,7-dimethyloct-6-en-1-ol; 303488_ALDRICH; LMPR01020076; LS-2078; Citronellol (ex. Java citronella oil) (natural); (-)-Citronellol; NSC 8779; CCRIS 7452; W509205_ALDRICH; 1335-43-9; EINECS 203-375-0; Citronellol (natural); (−)-beta-Citronellol; (S)-3,7-Dimethyl-6-octen-1-ol; (S)-(−)-beta-Citronellol; BRN 1721507; ZINC01532246; 7540-51-4; AI3-25080; 26489-01-0; 4-01-00-02188 (Beilstein Handbook Reference); FEMA No. 2309; 27483_FLUKA;beta-Citronellol;
beta-Rhodinol;
cephrol |
C10H20O |
156.27 |
CC(CCC=C(C)C)CCO |
|
TCMBANKIN059364 |
Lilac alcohol A |
lilac alcohol |
C10H18O2 |
170.25 g/mol |
CC(CO)C1CCC(O1)(C)C=C |
|
TCMBANKIN059367 |
1,2-propanediol |
aliphatic alcohol; Centella sugar; PGR; (S)-(+)- 1,2-propanediol; 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 or CH3CHOHCH2OH |
76.09 g/mol |
CC(CO)O |
|
TCMBANKIN059369 |
2-methyl-2-butene |
HSDB 2072; 3-Methyl-2-butene; 2-Methyl-2-butene; .beta.-Isoamylene; InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H; Methyl butene; 304042_ALDRICH; M32704_ALDRICH; beta-Isoamylene; NSC 74118; AI3-37711; 66050_FLUKA; 2-Methyl-2-butene solution; A07603500; 379263_ALDRICH; EINECS 208-156-3; 2-Methyl-2-butene [UN2460] [Flammable liquid]; 2-Methylbut-2-ene; 86262_FLUKA; 1,1,2-Trimethylethylene; 513-35-9; n-Amylene; Ethylene, trimethyl-; 2-Butene, 2-methyl-; Amylene (VAN); b-isoamylene; NSC74118; Trimethylethylene; WLN: 2UY1&1; UN2460 |
C5H10 |
70.13 g/mol |
CC=C(C)C |
|
TCMBANKIN059373 |
Zosimin |
2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate; Columbianadin; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-; SMR000156217; (Z)-2-methylbut-2-enoic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-; 5058-13-9; AIDS071122; MLS000574825; AIDS-071122; (Z)-2-methylbut-2-enoic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester;columbianadin;HMS3351K09 |
C19H20O5 |
328.36 g/mol |
CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN059383 |
Praeruptorin A |
praeruptorin A; dl-praeruptorin A; Pd-Ia; AC1NSZRS; praeruptorin a; [9-[(Z)-but-2-enyl]-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate; praeruptorin A; dl-praeruptorin a; (+-)praeruptorin a; (-)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin; isopteryxin; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; isopteryxin |
C21H22O7 |
386.4 g/mol |
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C |
|
TCMBANKIN059384 |
praeruptorin E |
praeruptorin C; praeruptorin e;(+)-praeruptorin e; (+) praeruptorin e;Pd-II;pra-C; praeruptorin C; Pra-C, 2-methyl-,10-(acetyloxy)-9,10- dihydro-8,8-dimethyl-2-oxo-2H, 8H-benzo[1,2-b:3,4-b'] dipyran-9-ol ester of 2-butenoic acid;(+)praeruptorin e;praeruptorin c;(+)praeruptorin c;qianhucoumarin h;(+-)praeruptorin b |
C24H28O7 |
428.5 g/mol |
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C |
|
TCMBANKIN059392 |
3'-O-angeloylhamaudol |
3'-o-angeloylhamaudol; AC1NSXB0; (5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate;3-o-angeloylhamaudol |
C20H22O6 |
358.42 |
CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C |
|
TCMBANKIN059393 |
ledebouriellol |
ledebouliellol |
C20H22O7 |
374.4 g/mol |
CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C |
|
TCMBANKIN059401 |
2-Phenylbutenal |
|
C10H10O |
146.19 |
CC=C(C=O)C1=CC=CC=C1 |
|
TCMBANKIN059402 |
Sitosterol alpha1 |
|
C30H50O |
426.72 |
CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C |
|
TCMBANKIN059409 |
mollislactone |
|
C15H20O2 |
232.32 |
CC=C1C2=CCCC=C(CCCC2OC1=O)C |
|
TCMBANKIN059426 |
(E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one |
|
C13H18O |
190.28 g/mol |
CC=CC(=O)C1=C(C=CCC1(C)C)C |
|
TCMBANKIN059427 |
beta-damascone |
|
C13H20O |
192.3 g/mol |
CC=CC(=O)C1=C(CCCC1(C)C)C |
|
TCMBANKIN059428 |
BEO |
|
C4H6O2 |
86.09 g/mol |
CC=CC(=O)O |
|
TCMBANKIN059429 |
3,4-Dimethyl-2,4,6-octatriene |
|
C10H16 |
136.23 g/mol |
CC=CC=C(C)C(=CC)C |
|
TCMBANKIN059438 |
2-methoxy-4-propenyl phenol |
|
C10H12O2 |
164.2 g/mol |
CC=CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059439 |
Machilin D |
|
C20H24O5 |
344.4 g/mol |
CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)O)OC)O)OC |
|
TCMBANKIN059440 |
Isohomogenol |
|
C11H14O2 |
178.23 g/mol |
CC=CC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN059443 |
isoallylbenzene |
|
C9H10 |
118.18 g/mol |
CC=CC1=CC=CC=C1 |
|
TCMBANKIN059445 |
Licarin A |
|
C20H22O4 |
326.39 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN059446 |
acuminatin |
|
C21H24O4 |
340.4 g/mol |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN059449 |
Izosafrol |
|
C10H10O2 |
162.19 |
CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059452 |
ethyl aldehyde |
|
C2H4O |
44.05 g/mol |
CC=O |
|
TCMBANKIN059457 |
glycyrrhiza-flavonol a |
|
C20H18O7 |
370.4 g/mol |
CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
|
TCMBANKIN059485 |
atalantoflavone |
|
C20H16O5 |
336.3 g/mol |
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C |
|
TCMBANKIN059489 |
Glabrone |
|
C20H16O5 |
336.34g/mol |
CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C |
|
TCMBANKIN059490 |
licoisoflavanone |
|
C20H18O6 |
354.35 |
CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=CC(=CC(=C4C3=O)O)O)C |
|
TCMBANKIN059491 |
Phaseolin |
|
C20H18O4 |
322.35 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C |
|
TCMBANKIN059493 |
Glyceollin |
|
C20H18O5 |
338.35 |
CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C |
|
TCMBANKIN059512 |
(-)- myrtenol |
|
C10H16O |
152.23 g/mol |
CC1(C2CC=C(C1C2)CO)C |
|
TCMBANKIN059521 |
B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
|
TCMBANKIN059522 |
(1R)-()-Nopinone |
|
C9H14O |
138.21 g/mol |
CC1(C2CCC(=O)C1C2)C |
|
TCMBANKIN059530 |
2,3-dehydro-1,8-cineole |
|
C10H16O |
152.23 |
CC1(C2CCC(O1)(C=C2)C)C |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059532 |
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC1(C(=O)C2)C)C |
|
TCMBANKIN059536 |
α-fenchene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC1C(=C)C2)C |
|
TCMBANKIN059566 |
6-O-E-Feruloylajugol |
|
|
524.57 |
CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN059639 |
Isoglycyrol |
|
C21H18O6 |
366.36 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
|
TCMBANKIN059653 |
(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one |
|
C11H16O2 |
180.24 |
CC1(CCCC2(C1=CC(=O)O2)C)C |
|
TCMBANKIN059677 |
1,2,3,4-tetramethylbenzene |
|
C10H14 |
134.22 g/mol |
CC1=C(C(=C(C=C1)C)C)C |
|
TCMBANKIN059684 |
Vitamin E β- |
|
C29H50O2 |
430.79 |
CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
|
TCMBANKIN059686 |
2,3-Dimethylphenol |
|
C8H10O |
122.16 |
CC1=C(C(=CC=C1)O)C |
|
TCMBANKIN059690 |
Vetol |
|
C6H6O3 |
126.11 |
CC1=C(C(=O)C=CO1)O |
|
TCMBANKIN059704 |
beta-citraurin |
|
C30H40O2 |
432.64 g/mol |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
|
TCMBANKIN059715 |
vitamin a |
|
C20H30O |
286.5 g/mol |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C |
|
TCMBANKIN059717 |
beta-Cyclocitral |
|
C10H16O |
152.23 g/mol |
CC1=C(C(CCC1)(C)C)C=O |
|
TCMBANKIN059724 |
Phenol, 2-methyl-5-(1-methylethyl) |
|
C10H14O |
150.22 g/mol |
CC1=C(C=C(C=C1)C(C)C)O |
|
TCMBANKIN059725 |
Methyl carvacrol |
|
C11H16O |
164.24 g/mol |
CC1=C(C=C(C=C1)C(C)C)OC |
|
TCMBANKIN059728 |
3,4-dimethyl-styrene |
|
C10H12 |
132.2 g/mol |
CC1=C(C=C(C=C1)C=C)C |
|
TCMBANKIN059735 |
Biosol |
|
C10H14O |
150.22 g/mol |
CC1=C(C=CC(=C1)O)C(C)C |
|
TCMBANKIN059736 |
pyrolin |
|
C7H8O2 |
124.14 g/mol |
CC1=C(C=CC(=C1)O)O |
|
TCMBANKIN059746 |
α-tocopherol |
|
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN059753 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
|
TCMBANKIN059758 |
triptinin a |
|
C21H28O3 |
328.45 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O |
|
TCMBANKIN059807 |
Lactucopicrin |
|
C23H22O7 |
410.42 |
CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN059810 |
delta-selinene |
|
C15H24 |
204.35 g/mol |
CC1=C2C=C(CCC2(CCC1)C)C(C)C |
|
TCMBANKIN059815 |
tanshinone i |
|
C18H12O3 |
276.3 g/mol |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
|
TCMBANKIN059828 |
2,4,6-trimethylbenzaldehyde |
|
C10H12O |
148.2 g/mol |
CC1=CC(=C(C(=C1)C)C=O)C |
|
TCMBANKIN059829 |
3,4,5-Trimethoxytoluene |
|
C10H14O3 |
182.22 |
CC1=CC(=C(C(=C1)OC)OC)OC |
|
TCMBANKIN059831 |
Methyl atratate |
|
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN059834 |
1,4-Benzenediol,2,3,5-trimethyl- |
|
C9H12O2 |
152.19 g/mol |
CC1=CC(=C(C(=C1O)C)C)O |
|
TCMBANKIN059836 |
thymol |
|
C10H14O |
150.22 |
CC1=CC(=C(C=C1)C(C)C)O |
|
TCMBANKIN059837 |
methyl thymyl ether |
|
C11H16O |
164.24 g/mol |
CC1=CC(=C(C=C1)C(C)C)OC |
|
TCMBANKIN059839 |
Psi-cumene |
|
C9H12 |
120.19 g/mol |
CC1=CC(=C(C=C1)C)C |
|
TCMBANKIN059840 |
2,5-dimethylbenzaldehyde |
|
C9H10O |
134.18 |
CC1=CC(=C(C=C1)C)C=O |
|
TCMBANKIN059842 |
o-Acetyl-p-cresol |
|
C9H10O2 |
150.17 g/mol |
CC1=CC(=C(C=C1)O)C(=O)C |
|
TCMBANKIN059843 |
4-methyl-2-methoxyphenol |
|
C8H10O2 |
138.16 g/mol |
CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059848 |
3-Methylene-1,5,5-trimethylcyclohexene |
|
C10H16 |
136.23 g/mol |
CC1=CC(=C)CC(C1)(C)C |
|
TCMBANKIN059853 |
Fleet-X |
|
C9H12 |
120.19 |
CC1=CC(=CC(=C1)C)C |
|
TCMBANKIN059856 |
3,4,5-Hemimellitenol |
|
C9H12O |
136.19 |
CC1=CC(=CC(=C1C)C)O |
|
TCMBANKIN059860 |
m-xylene |
|
C8H10 |
106.17 g/mol |
CC1=CC(=CC=C1)C |
|
TCMBANKIN059871 |
chiratone;Chitranone |
|
C22H14O6 |
374.34 |
CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C |
|
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
|
TCMBANKIN059901 |
p-xylene |
|
C8H10 |
106.17 |
CC1=CC=C(C=C1)C |
|
TCMBANKIN059903 |
WLN: QVR D1 |
|
C8H8O2 |
136.15 g/mol |
CC1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN059907 |
(+)-alpha-Curcumene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN059908 |
xylene |
|
C8H10 |
106.17 |
CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C |
|
TCMBANKIN059909 |
Tolualdehydes |
|
C8H8O |
120.15 g/mol |
CC1=CC=C(C=C1)C=O |
|
TCMBANKIN059912 |
p-cresol |
|
C7H8O |
108.14 g/mol |
CC1=CC=C(C=C1)O |
|
TCMBANKIN059916 |
2,6,6-trimethyl-2,4-cycloheptadien-1-one |
|
C10H14O |
150.22 |
CC1=CC=CC(CC1=O)(C)C |
|
TCMBANKIN059920 |
o-methylacetophenone |
|
C9H10O |
134.17 g/mol |
CC1=CC=CC=C1C(=O)C |
|
TCMBANKIN059921 |
o- Cymene |
|
C10H14 |
134.22 g/mol |
CC1=CC=CC=C1C(C)C |
|
TCMBANKIN059922 |
o-cresol;Phenol, 2- methyl-;2-hydroxytoluene |
|
C7H8O |
108.14 g/mol |
CC1=CC=CC=C1O |
|
TCMBANKIN059923 |
2-methylpyridine |
|
C6H7N |
93.13 g/mol |
CC1=CC=CC=N1 |
|
TCMBANKIN059924 |
Methyl naphthalene |
|
C11H10 |
142.2 g/mol |
CC1=CC=CC2=CC=CC=C12 |
|
TCMBANKIN059926 |
(-)-gossypol |
|
C30H30O8 |
518.6 g/mol |
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O |
|
TCMBANKIN059932 |
chrysophanol |
|
C15H10O4 |
254.24 |
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
|
TCMBANKIN059939 |
Aurantio-obtusin |
|
C17H14O7 |
330.29 |
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O |
|
TCMBANKIN059944 |
.alpha.-Ionene |
|
C13H18 |
174.28 |
CC1=CC2=C(C=C1)C(CCC2)(C)C |
|
TCMBANKIN059948 |
Vitamin- G |
|
C17H20N4O6 |
376.36 |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
|
TCMBANKIN059952 |
Phlegmariuine-N |
|
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN059954 |
Girinimbine |
|
C18H17NO |
263.33 |
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42 |
|
TCMBANKIN059955 |
2-methylnaphthalene |
|
C11H10 |
142.2g/mol |
CC1=CC2=CC=CC=C2C=C1 |
|
TCMBANKIN059956 |
himachalene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN059959 |
.alpha.-Carene |
|
C10H16 |
136.23 |
CC1=CC2C(C2(C)C)CC1 |
|
TCMBANKIN059960 |
(-)-g-cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=C)CCC2C(C)C |
|
TCMBANKIN059962 |
cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=CCC2C(C)C)C |
|
TCMBANKIN059964 |
α-cadinol |
|
C15H26O |
222.37g/mol |
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C |
|
TCMBANKIN059967 |
germacrone |
|
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
|
TCMBANKIN059969 |
Limene |
|
C15H24 |
204.35 |
CC1=CCC(=C(C)CCC=C(C)C)CC1 |
|
TCMBANKIN059970 |
1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(=CC1)C(C)C |
|
TCMBANKIN059973 |
WLN: T5OV CHJ E1 |
|
C5H6O2 |
98.1 |
CC1=CCC(=O)O1 |
|
TCMBANKIN059975 |
β-humulene |
|
C15H24 |
204.35 |
CC1=CCC(C=CCC(=C)CCC1)(C)C |
|
TCMBANKIN059982 |
d-limonene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(CC1)C(=C)C |
|
TCMBANKIN059983 |
β-bisabolene |
|
C15H24 |
204.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)C |
|
TCMBANKIN059985 |
alpha-terpinol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)C(C)(C)O |
|
TCMBANKIN059988 |
()-p-Menth-1-ene |
|
C10H18 |
138.25 g/mol |
CC1=CCC(CC1)C(C)C |
|
TCMBANKIN059994 |
(+)-trans-Carveol |
|
C10H16O |
152.23 g/mol |
CC1=CCC(CC1O)C(=C)C |
|
TCMBANKIN059995 |
l-Carvyl acetate |
|
C12H18O2 |
194.27 |
CC1=CCC(CC1OC(=O)C)C(=C)C |
|
TCMBANKIN059999 |
beta-Chamigrene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CC1)C(=C)CCCC2(C)C |
|
TCMBANKIN060004 |
cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
|
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
|
TCMBANKIN060014 |
Germacrene D |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C=CC(CC1)C(C)C |
|
TCMBANKIN060018 |
Costunolide |
|
C15H20O2 |
232.32 g/mol |
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
TCMBANKIN060039 |
THM |
|
C10H14N2O5 |
242.23 g/mol |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
|
TCMBANKIN060040 |
2,3,5-trimethyl-pyrazine;TRIMETHYLPYRAZINE |
|
C7H10N2 |
122.17 |
CC1=CN=C(C(=N1)C)C |
|
TCMBANKIN060044 |
5-methyluracil |
|
C5H6N2O2 |
126.11 g/mol |
CC1=CNC(=O)NC1=O |
|
TCMBANKIN060051 |
isotanshinone i |
|
C18H12O3 |
276.29 |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
|
TCMBANKIN060054 |
isogermafurene |
|
C15H20O |
216.32 |
CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C |
|
TCMBANKIN060058 |
vitamin b6 |
|
C8H11NO3 |
169.18 g/mol |
CC1=NC=C(C(=C1O)CO)CO |
|
TCMBANKIN060064 |
GA54 |
|
C19H24O6 |
348.39 g/mol |
CC12C(CC(C3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O)O |
|
TCMBANKIN060155 |
Ikarisoside C |
|
C38H48O20 |
824.8 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O |
|
TCMBANKIN060160 |
quercitrin |
|
C21H20O11 |
448.4 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
|
TCMBANKIN060176 |
naringin;Naringenin- 7- O- β- D- neohesperidoside |
|
C27H32O14 |
580.53 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
|
TCMBANKIN060264 |
rutin |
|
C27H30O16 |
610.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
|
TCMBANKIN060274 |
Bisasarcin |
|
C24H32O6 |
416.51 |
CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C |
|
TCMBANKIN060288 |
Phenol, 4,4'-((2R,3R,4S,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-, rel- |
|
C20H24O5 |
344.4 g/mol |
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
|
TCMBANKIN060290 |
Galgravin;di-o-methyltetrahydrofuriguaiacin b;(?)-galbelgin;saucernetin;(±)-galgravin;Veraguensin;(+)-galbelgin |
|
C22H28O5 |
372.45 |
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C |
|
TCMBANKIN060293 |
(?)-zuonin a |
|
C20H20O5 |
340.4 g/mol |
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C |
|
TCMBANKIN060298 |
pterosin C 3-O-glucoside |
|
C20H28O8 |
396.4 g/mol |
CC1C(C2=C(C1=O)C(=C(C(=C2)C)CCOC3C(C(C(C(O3)CO)O)O)O)C)O |
|
TCMBANKIN060301 |
Bicyclo(3.2.1)oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1R-(6-endo,7-exo))- |
|
C20H22O5 |
342.39 |
CC1C(C2C(=O)C(=CC1(C2=O)OC)CC=C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN060308 |
Venoterpine |
|
C9H11NO |
149.19g/mol |
CC1C(CC2=C1C=NC=C2)O |
|
TCMBANKIN060321 |
kadsurin a. b |
|
C21H26O6 |
374.4 g/mol |
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN060324 |
(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-carbaldehyde |
|
C19H20O5 |
328.36 |
CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060325 |
kadsurenone |
|
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060326 |
denudatin,a |
|
C20H20O5 |
340.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
|
TCMBANKIN060361 |
yuanhunine |
|
C21H25NO4 |
355.4 g/mol |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)OC)OC |
|
TCMBANKIN060362 |
corybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC |
|
TCMBANKIN060364 |
thalictrifoline |
|
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
TCMBANKIN060373 |
thujylalcohol |
|
C10H18O |
154.25 g/mol |
CC1C2CC2(CC1O)C(C)C |
|
TCMBANKIN060414 |
(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone |
|
C14H18O2 |
218.29 |
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C |
|
TCMBANKIN060417 |
Schisanhenol |
|
C23H30O6 |
402.5 g/mol |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC |
|
TCMBANKIN060418 |
Gomisin T |
|
C23H30O6 |
402.5 g/mol |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)O |
|
TCMBANKIN060419 |
(-)-Gomisin L2 |
|
C22H26O6 |
386.44 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3CC1C)OCO4)OC)OC)OC)O |
|
TCMBANKIN060420 |
Isoguaiacin |
|
C20H24O4 |
328.4 |
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC |
|
TCMBANKIN060422 |
gomisin o |
|
C23H28O7 |
416.5 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3 |
|
TCMBANKIN060423 |
Besigomsin; wuweizi alcohol b; Gomisin-A; schisandrol b |
|
C23H28O7 |
416.46g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 |
|
TCMBANKIN060424 |
(?)-gomisin l1 |
|
C22H26O6 |
386.44 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3 |
|
TCMBANKIN060425 |
Deoxygomisin A |
|
C23H28O6 |
400.5 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
TCMBANKIN060440 |
pulegone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN060441 |
3-methyl-6-(1-methylethyl-idene)-cyclohexene |
|
C10H16 |
136.23g/mol |
CC1CCC(=C(C)C)C=C1 |
|
TCMBANKIN060450 |
d-menthone |
|
C10H18O |
154.25 g/mol |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN060452 |
()-Neomenthol;(1R,2R,5S)-2-Isopropyl-5-methylcyclohexanol |
|
C10H20O |
156.27 |
CC1CCC(C(C1)O)C(C)C |
|
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=C)C |
|
TCMBANKIN060462 |
(1S,2R,4R)-Neoiso-dihydrocarveol |
|
C10H18O |
154.25g/mol |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
|
TCMBANKIN060473 |
dehydroagastol |
|
C21H26O4 |
342.4 g/mol |
CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C |
|
TCMBANKIN060575 |
alpha-gurjunene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C(C2(C)C)C3=C(CCC13)C |
|
TCMBANKIN060589 |
Dihydronepetalactone |
|
C10H16O2 |
168.23 g/mol |
CC1CCC2C1C(=O)OCC2C |
|
TCMBANKIN060593 |
()-Aromadendrene;(+)-aromadendrene |
|
C15H24 |
204.35 |
CC1CCC2C1C3C(C3(C)C)CCC2=C |
|
TCMBANKIN060595 |
(-)-Isorotundene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C1CC3CCC2(CC3=C)C |
|
TCMBANKIN060599 |
Methylcyclopentane |
|
C30H54S2;C6H12 |
478.88;84.16 |
CC1CCCC1 |
|
TCMBANKIN060603 |
1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one |
|
C15H22O |
218.37 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN060607 |
methylcyclohexane |
|
C7H14 |
98.19 g/mol |
CC1CCCCC1 |
|
TCMBANKIN060608 |
cis-Hexahydro-o-xylene |
|
C8H16 |
112.21 g/mol |
CC1CCCCC1C |
|
TCMBANKIN060616 |
dihydrotanshinoneⅠ |
|
C18H14O3 |
45.043279 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C |
|
TCMBANKIN060617 |
1,2,5,6-tetrahydrotanshinone |
|
C18H16O3 |
280.3 g/mol |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
|
TCMBANKIN060618 |
tanshinaldehyde |
|
C19H18O4 |
310.3 g/mol |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
|
TCMBANKIN060624 |
2-butanal |
|
C4H8O |
72.11 g/mol |
CCC(=O)C |
|
TCMBANKIN060633 |
PPI |
|
C3H6O2 |
74.08 g/mol |
CCC(=O)O |
|
TCMBANKIN060636 |
ethylpropionate |
|
C5H10O2 |
102.13 g/mol |
CCC(=O)OCC |
|
TCMBANKIN060637 |
D-2-Aminobutyrate |
|
C4H9NO2 |
103.12g/mol |
CCC(C(=O)O)N |
|
TCMBANKIN060638 |
2-methylbutanoic acid |
|
C5H10O2 |
102.13 |
CCC(C)C(=O)O |
|
TCMBANKIN060648 |
daechunine S2 |
|
C28H44N4O4 |
500.7 g/mol |
CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)N(C)C |
|
TCMBANKIN060649 |
Allo-L-isoleucine |
|
C6H13NO2 |
131.17 g/mol |
CCC(C)C(C(=O)O)N |
|
TCMBANKIN060650 |
2,3,4-TRIMETHYLHEXANE |
|
C9H20 |
128.25 g/mol |
CCC(C)C(C)C(C)C |
|
TCMBANKIN060655 |
jubanine A |
|
C40H49N5O6 |
695.8 g/mol |
CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C)OC |
|
TCMBANKIN060657 |
amphibin d |
|
C36H49N5O5 |
631.8 |
CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(CC4=CC=CC=C4)N(C)C |
|
TCMBANKIN060661 |
methyl 4-methyl-hexanoate |
|
C8H16O2 |
144.21 |
CCC(C)CCC(=O)OC |
|
TCMBANKIN060664 |
farnesane |
|
C15H32 |
212.41 g/mol |
CCC(C)CCCC(C)CCCC(C)C |
|
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
|
TCMBANKIN060715 |
methyl (E)-dodec-9-enoate |
|
C13H24O2 |
212.33 |
CCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN060717 |
Leaf acetate |
|
C8H14O2 |
142.2g/mol |
CCC=CCCOC(=O)C |
|
TCMBANKIN060731 |
4-ethylguaiacol |
|
C9H12O2 |
152.19 g/mol |
CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060732 |
1-methyl-4-ethylbenzene |
|
C9H12 |
120.19 g/mol |
CCC1=CC=C(C=C1)C |
|
TCMBANKIN060734 |
3-Ethyltoluene |
|
C9H12 |
120.19 g/mol |
CCC1=CC=CC(=C1)C |
|
TCMBANKIN060735 |
EB |
|
C8H10 |
106.16 g/mol |
CCC1=CC=CC=C1 |
|
TCMBANKIN060736 |
Phlorol |
|
C8H10O |
122.16 |
CCC1=CC=CC=C1O |
|
TCMBANKIN060739 |
1-ethyl-cyclohexene |
|
C8H14 |
110.2 g/mol |
CCC1=CCCCC1 |
|
TCMBANKIN060749 |
Deoxycamptothecine |
|
C20H16N2O3 |
332.38 g/mol |
CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2 |
|
TCMBANKIN060756 |
isorhynchophylline |
|
C22H28N2O4 |
384.5 g/mol |
CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
|
TCMBANKIN060757 |
hirsutine |
|
C22H28N2O3 |
368.5 g/mol |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN060766 |
2-Methylheptan-4-one |
|
C8H16O |
128.21 g/mol |
CCCC(=O)CC(C)C |
|
TCMBANKIN060768 |
BUA |
|
C4H8O2 |
88.11g/mol |
CCCC(=O)O |
|
TCMBANKIN060770 |
ethyl butyrate;Butyric ether |
|
C6H12O2 |
116.16 |
CCCC(=O)OCC |
|
TCMBANKIN060772 |
2-methyl pentane |
|
C6H14 |
86.18 g/mol |
CCCC(C)C |
|
TCMBANKIN060773 |
3-methylhexane |
|
C7H16 |
100.2 |
CCCC(C)CC |
|
TCMBANKIN060778 |
3-hexanol;ZINC02013201 |
|
C6H14O |
102.17 g/mol |
CCCC(CC)O |
|
TCMBANKIN060796 |
Cerulignol |
|
C10H14O2 |
166.22g/mol |
CCCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060800 |
propyl cyclopentane |
|
C8H16 |
112.21 |
CCCC1CCCC1 |
|
TCMBANKIN060804 |
METHYL VALERATE |
|
C6H12O2 |
116.16g/mol |
CCCCC(=O)OC |
|
TCMBANKIN060806 |
2-methyl-hexanoic acid |
|
C7H14O2 |
130.18 |
CCCCC(C)C(=O)O |
|
TCMBANKIN060807 |
3-methylheptane |
|
C8H18 |
114.23 |
CCCCC(C)CC |
|
TCMBANKIN060814 |
(E)-oct-3-en-2-one |
|
C8H14O |
126.2 |
CCCCC=CC(=O)C |
|
TCMBANKIN060815 |
Heptenoic acid |
|
C7H12O2 |
128.17 g/mol |
CCCCC=CC(=O)O |
|
TCMBANKIN060816 |
Octadiene |
|
C8H14 |
110.2 g/mol |
CCCCC=CC=C |
|
TCMBANKIN060819 |
2-heptenal;E-2-Heptenal;cis-Hept-2-enal;trans-2-heptenal;(E)-2- heptenal;Heptenal;beta-heptenal;(Z)-2-heptenal;2- Heptenal,(E)-;alpha-heptenal |
|
C7H12O |
112.17 g/mol |
CCCCC=CC=O |
|
TCMBANKIN060834 |
neocnidilide |
|
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN060836 |
butyl-cyclohexane |
|
C10H20 |
140.27 g/mol |
CCCCC1CCCCC1 |
|
TCMBANKIN060837 |
HEX |
|
C6H14 |
86.18 g/mol |
CCCCCC |
|
TCMBANKIN060840 |
Vinyl amyl ketone |
|
C8H14O |
126.2 |
CCCCCC(=O)C=C |
|
TCMBANKIN060845 |
6-undecanone |
|
C11H22O |
170.29 g/mol |
CCCCCC(=O)CCCCC |
|
TCMBANKIN060846 |
Methyl hexoate |
|
C7H14O2 |
130.18 |
CCCCCC(=O)OC |
|
TCMBANKIN060847 |
Ethyl hexoate |
|
C8H16O2 |
144.21 |
CCCCCC(=O)OCC |
|
TCMBANKIN060850 |
2-methyl-Heptane |
|
C8H18 |
114.23 g/mol |
CCCCCC(C)C |
|
TCMBANKIN060853 |
CHEBI:39932 |
|
C8H16O |
128.21 |
CCCCCC(C=C)O |
|
TCMBANKIN060864 |
N-isobutyl-decatrans-2-trans-4-dienamide |
|
C14H25NO |
223.35 g/mol |
CCCCCC=CC=CC(=O)NCC(C)C |
|
TCMBANKIN060868 |
trans-2,4-decadienal |
|
C10H16O |
152.23 g/mol |
CCCCCC=CC=CC=O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060891 |
2-Amyl furan |
|
C9H14O |
138.21 g/mol |
CCCCCC1=CC=CO1 |
|
TCMBANKIN060895 |
γ-nonalactone |
|
C9H16O2 |
156.22 g/mol |
CCCCCC1CCC(=O)O1 |
|
TCMBANKIN060903 |
Octylene;1-octene |
|
C8H16 |
112.21 g/mol |
CCCCCCC=C |
|
TCMBANKIN060904 |
Nonenoic acid |
|
C9H16O2 |
156.22 g/mol |
CCCCCCC=CC(=O)O |
|
TCMBANKIN060910 |
cis-9-hexadecenoic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060917 |
(E)-2-nonen-1-ol |
|
C9H18O |
142.24 g/mol |
CCCCCCC=CCO |
|
TCMBANKIN060925 |
Methyl octylate |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCC(=O)OC |
|
TCMBANKIN060926 |
Ethyl octoate |
|
C10H20O2 |
172.26 |
CCCCCCCC(=O)OCC |
|
TCMBANKIN060930 |
NONYLENE |
|
C9H18 |
126.24 g/mol |
CCCCCCCC=C |
|
TCMBANKIN060937 |
linderic acid |
|
C12H22O2 |
198.3 g/mol |
CCCCCCCC=CCCC(=O)O |
|
TCMBANKIN060941 |
γ-undecalactone |
|
|
|
CCCCCCCC1CCC(=O)O1 |
|
TCMBANKIN060944 |
nonanoic acid |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCCC(=O)O |
|
TCMBANKIN060945 |
Methyl nonylate |
|
C10H20O2 |
172.26 g/mol |
CCCCCCCCC(=O)OC |
|
TCMBANKIN060946 |
ethyl nonanoate |
|
C11H22O2 |
186.29 |
CCCCCCCCC(=O)OCC |
|
TCMBANKIN060953 |
1-decene;Decylene |
|
C10H20 |
140.27 g/mol |
CCCCCCCCC=C |
|
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060969 |
Erucic acid |
|
C22H42O2 |
338.57 |
CCCCCCCCC=CCCCCCCCCCCCC(=O)O |
|
TCMBANKIN060978 |
Mnk |
|
C11H22O |
170.29 |
CCCCCCCCCC(=O)C |
|
TCMBANKIN060980 |
caproic acid;capric acid;n-decanoic acid;NON |
|
C10H20O2 |
172.26 g/mol |
CCCCCCCCCC(=O)O |
|
TCMBANKIN060981 |
Methyl caprate |
|
C11H22O2 |
186.29 |
CCCCCCCCCC(=O)OC |
|
TCMBANKIN060997 |
undecanoicacid;Undekansaeure |
|
C11H22O2 |
186.29 g/mol |
CCCCCCCCCCC(=O)O |
|
TCMBANKIN061000 |
DODECENE |
|
C12H24 |
168.32 g/mol |
CCCCCCCCCCC=C |
|
TCMBANKIN061005 |
TRIDECANONE |
|
C13H26O |
198.34g/mol |
CCCCCCCCCCCC(=O)C |
|
TCMBANKIN061008 |
lauric acid,ethyl ester |
|
C14H28O2 |
228.37 g/mol |
CCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061011 |
1-tridecene; Tridecylene; tridecene |
|
C13H26 |
182.35 |
CCCCCCCCCCCC=C |
|
TCMBANKIN061015 |
1-methyl-2-undecyl-4-quinolone |
|
C21H31NO |
313.5 g/mol |
CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
|
TCMBANKIN061045 |
PENTADECYLIC ACID |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061057 |
tetradecyl oxirane |
|
C16H32O |
240.42 g/mol |
CCCCCCCCCCCCCCC1CO1 |
|
TCMBANKIN061127 |
n-tetracosane |
|
C24H50 |
338.65 |
CCCCCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN061135 |
Hentriacontanol-6;6-hentriacontanol |
|
C31H64O |
452.8 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O |
|
TCMBANKIN061183 |
Decyl acetate |
|
C12H24O2 |
200.32 g/mol |
CCCCCCCCCCOC(=O)C |
|
TCMBANKIN061186 |
Acetate C-9; n-nonanyl acetate; nonyl acetate |
|
C11H22O2 |
186.29 |
CCCCCCCCCOC(=O)C |
|
TCMBANKIN061199 |
amyl acetate |
|
C7H14O2 |
130.18 g/mol |
CCCCCOC(=O)C |
|
TCMBANKIN061202 |
Butanol |
|
C4H10O |
74.12 g/mol |
CCCCO |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061214 |
Butyl butyrate |
|
C8H16O2 |
144.21 g/mol |
CCCCOC(=O)CCC |
|
TCMBANKIN061215 |
n-butyl-β-D-fructopyranoside |
|
C10H20O6 |
237.27 g/mol |
CCCCOC1(C(C(C(CO1)O)O)O)CO |
|
TCMBANKIN061219 |
BUCB |
|
C8H18O3 |
162.23 g/mol |
CCCCOCCOCCO |
|
TCMBANKIN061226 |
SSP-SSP |
|
C6H14S2 |
150.31 |
CCCSSCCC |
|
TCMBANKIN061228 |
PROPYL TRISULFIDE |
|
C6H14S3 |
182.37 g/mol |
CCCSSSCCC |
|
TCMBANKIN061244 |
OXA |
|
C2H6O |
46.07 |
CCO |
|
TCMBANKIN061245 |
Acetic ether |
|
C4H8O2 or CH3COOC2H5 |
88.11 g/mol |
CCOC(=O)C |
|
TCMBANKIN061254 |
ethyl gallate;gallic acid ethyl ester;Progallin A |
|
C9H10O5 |
198.17 g/mol |
CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN061255 |
Ethyl protocatechuate |
|
C9H10O4 |
182.17 |
CCOC(=O)C1=CC(=C(C=C1)O)O |
|
TCMBANKIN061257 |
catalase |
|
C9H10O3 |
166.17 g/mol |
CCOC(=O)C1=CC=C(C=C1)O |
|
TCMBANKIN061258 |
ethyl benzoate;WLN: 2OVR |
|
C9H10O2 |
150.17 g/mol |
CCOC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061263 |
Isopropyl ethyl ether |
|
C5H12O |
88.15 |
CCOC(C)C |
|
TCMBANKIN061271 |
EA-fructofuranoside |
|
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061273 |
1-ethoxy-4-methylbenzene |
|
C9H12O |
136.19 g/mol |
CCOC1=CC=C(C=C1)C |
|
TCMBANKIN061275 |
Ethyl glucoside |
|
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN061283 |
trimethylamine |
|
C3H9N |
59.11 g/mol |
CN(C)C |
|
TCMBANKIN061284 |
TETRAMETHYLSUCCINAMIDE |
|
C8H16N2O2 |
172.22 g/mol |
CN(C)C(=O)CCC(=O)N(C)C |
|
TCMBANKIN061285 |
N,N-Dimethyl-L-phenylalanine |
|
C11H15NO2 |
193.24 |
CN(C)C(CC1=CC=CC=C1)C(=O)O |
|
TCMBANKIN061298 |
GoshuyuamideII |
|
C19H17N3O2 |
319.39 |
CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43 |
|
TCMBANKIN061303 |
09762_FLUKA |
|
C9H15NO |
153.22 g/mol |
CN1C2CCCC1CC(=O)C2 |
|
TCMBANKIN061309 |
(+/-)-Homochelidonine |
|
C21H23NO5 |
369.4 g/mol |
CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5 |
|
TCMBANKIN061313 |
arecaine |
|
C7H11NO2 |
141.17 g/mol |
CN1CCC=C(C1)C(=O)O |
|
TCMBANKIN061314 |
arecoline |
|
C8H13NO2 |
155.19 |
CN1CCC=C(C1)C(=O)OC |
|
TCMBANKIN061320 |
cryptopine |
|
C21H23NO5 |
369.41 |
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC |
|
TCMBANKIN061324 |
d-reticuline |
(S)-(+)-reticuline; (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; CHEBI:16718; 485-19-8; (1S)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (+)-Reticuline; (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C02105;CHEBI:17428; AC1L99KR; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; AK552295; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; C05178; FT-0699770; MFCD28556897; ZINC901258; DTXSID80331501; L-Reticuline; CHEMBL401501; AKOS030242061; (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-Reticuline; (-)-reticuline; SCHEMBL9587509; NCGC00247617-01; 3968-19-2; (R)-Reticuline (>80% ee); CTK1C2641; (S)-Reticuline;reticuline;reticulin |
C19H23NO4 |
329.4 g/mol |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN061326 |
(R)-N-Methylcoclaurine |
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (1R)-; 1betaH-Coclaurine, 2-methyl-; 5096-70-8; AIDS-226940; (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (R)-; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; C05243; (-)-1(R)-N-Methylcoclaurine; AIDS226940; d-n-methyl coclaurine |
C18H21NO3 |
299.36 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN061334 |
glaucine |
AC1LL50T; (R)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; 38325-02-9; ZINC792622; EINECS 253-881-0; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (R)-; FT-0698454; (?)-Glaucine; RUZIUYOSRDWYQF-OAHLLOKOSA-N; l-Glaucine; DTXSID70191691; (R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline; Glauvent ;(-)-glaucine; Bromcholitin; (+)-Glaucine; AIDS011385; GLAUCINE,(D); Glaucine; 6a.alpha.-Aporphine, 1,2,9,10-tetramethoxy-; NSC34396; S-(+)-Glaucine; C09446; Glaucine fumarate; BB_NC-0833; d-Glaucine; 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-; Boldine dimethyl ether; 475-81-0; AIDS-011385 |
C21H25NO4 |
355.43 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
|
TCMBANKIN061352 |
longatin |
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; NSC121869; SMR000059119; (S,R)-Noscapine; C09592; STK054401; BSPBio_000346; 128-62-1; AIDS011873; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; Lopac0_000840; Tocris-1697; Noscapine (TN); alpha-Narcotine; .beta.-Narcotine; alpha-narcotine; EINECS 204-899-2; Noscapine [BAN:INN:JAN]; Coscopin (VAN); L-alpha-Narcotine; 4-27-00-06838 (Beilstein Handbook Reference); 1368-39-4; Lopac-N-9007; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl),(S-(R*,S*))-; L-alpha-Noscapine; CAS-128-62-1; BRN 0099933; BSPBio_002113; SDCCGMLS-0066644.P001; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,(S-(R*,S*))-; HSDB 3372; KBio2_004117; TNP00110; SPBio_001053; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; NCGC00017174-02; 567-86-2; KBio2_006685; Spectrum5_001276; (-)-alpha-Norcotine; NCGC00017174-01; KBioGR_000872; Spectrum2_000987; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; Noscapinum [INN-Latin]; NCGC00015757-01; Spectrum_001069; KBio3_001613; ST055757; (-)-Narcotine; Spectrum3_000527; 8-Methoxyhydrastin; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; TNP00034; KBio2_001549; Spectrum4_000456; Longactin; 8057-19-0; Noscapina [INN-Spanish]; KBioSS_001549; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00016388-01; Narcotine (8CI); 8055-18-3; NCGC00023230-02; AIDS-011873; D01036; CBMicro_048259; SPBio_002565; BIM-0048054.P001; NCI60_004322; Prestwick1_000563; Prestwick3_000563; (-)-.alpha.-Narcotine; Prestwick_959; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; MLS000069475; 363960_ALDRICH; BPBio1_000382; Coscopin; Methoxyhydrastine; Prestwick0_000563; Prestwick2_000563; Noscapine (JP15/USP/INN); AC1NSW29; 5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6,9-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline; narcotine; Noscapine; gnoscopine; Noskapin; α-narcotine |
C22H23NO7 |
413.42 g/mol |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
|
TCMBANKIN061354 |
Fumarine |
C05189; TNP00339; 7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one; ST036759; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; HSCI1_000268; EINECS 204-999-6; AIDS-040935; Corydinine; 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one; Oprea1_722246; NCGC00142402-01; Biflorine; Macleyine; 130-86-9; NCGC00017389-01; 7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-; Alk-3; 6164-47-2 (HCL); Oprea1_718853; AIDS040935; 7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one; HSDB 3527; CHEBI:16415; AI3-62909; ACon1_001550; DTXSID00178935; Bis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; Bis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one,5,7,8,15-tetrahydro-6-methyl-; AC1L4H3I; CHEMBL486179; 14-METHYL-7,9,20,22-TETRAOXA-14-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(3)]TETRACOSA-1(24),4,6(10),11,17,19(23)-HEXAEN-2-ONE; CTK4F3162; MCULE-2865552640; BDBM50377937; 24240-05-9; AC1Q6P91; NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; C20H19NO5; protopine ; Pseudoprotopine; MolPort-028-610-216; 6-methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6h)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-; ZINC31502517; protopine |
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
|
TCMBANKIN061355 |
24240-05-9;pseudoprotopine |
|
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3 |
|
TCMBANKIN061371 |
nicotine |
36733_RIEDEL; 2yk1; CHEBI:59806; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; D03365; 54-11-5; NCGC00090693-03; 46343_RIEDEL; C00745; Nicotine; NCGC00090693-04; AIDS-156031; 65-31-6 (R,R-BITARTRATE); (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; Habitrol (TN); SBB012359; N5511_SIGMA; (−)-Nicotine; Nicotine (compounds related to); PDSP2_000555; NCT; N3876_SIGMA; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; NCGC00090693-01; ZB012057; (S)-(-)-nicotine; CHEBI:17688; SDCCGMLS-0066911.P001; (S)-nicotinium(1+); AC1OCG5J; 3-(2-(N-methylpyrrolidinyl))pyridine; NSC97238 (R,R-BITARTRATE SALT); 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine; (S)-nicotinium cation; AIDS156031; NCGC00090693-05; PDSP1_000465; PDSP1_000113; PDSP2_000463; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine (USP); 54-11-5 (FREE BASE); L(-)-nicotine; (−)-Nicotine solution |
C10H14N2 |
162.23 g/mol |
CN1CCCC1C2=CN=CC=C2 |
|
TCMBANKIN061377 |
Goshuyuamide I |
AC1NSW2R; (2-methylaminophenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; [2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; (2-methylaminophenyl)-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)methanone; goshuyuamide i |
C19H19N3O |
305.41 |
CNC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34 |
|
TCMBANKIN061378 |
n-(2-methulaminobenzoyl)tryfamine |
N-(2-Methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-methylamino-benzamide; N-[2-(1H-indol-3-yl)ethyl]-2-methylaminobenzamide; n-(2-methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide; AC1NSY7J |
|
293.4 |
CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32 |
|
TCMBANKIN061379 |
n-methylanthranilic acid |
WLN: QVR BM1; KBioSS_000660; AP-065/40180106; N-Methyl-2-aminobenzoic acid; 730910-17-5; Anthranilic acid, N-methyl-; Kyselina N-methylanthranilova [Czech]; Spectrum5_000453; o-(Methylamino)benzoic acid; SpecPlus_000945; KBio2_000660; BSPBio_002365; SBB006591; NCGC00095760-01; 4-14-00-01015 (Beilstein Handbook Reference); KBioGR_002073; Kyselina N-methylanthranilova; Kyselina 2-methylaminobenzoova [Czech]; N-Methylanthranilic acid; Spectrum3_000673; AI3-05924; 137065_ALDRICH; KBio2_005796; Spectrum2_001916; CHEBI:16394; DivK1c_007041; EINECS 204-343-9; Spectrum4_001637; NSC3782; N-Methyl-o-aminobenzoic acid; SPECTRUM1600964; KBio2_003228; Oprea1_531375; 119-68-6; 2-(Methylamino)benzoic acid; KBio3_001585; BRN 2208135; SPBio_001912; C03005; 2-methylaminobenzoic acid; NSC 3782; Spectrum_000180; KBio1_001985; Benzoic acid, 2-(methylamino)-; SDCCGMLS-0066851.P001 |
C8H9NO2 |
151.16 g/mol |
CNC1=CC=CC=C1C(=O)O |
|
TCMBANKIN061381 |
colchamine |
MolPort-002-507-437; AK326020; CAS-477-30-5; BRN 2822892; Demecolcine; N-Desacetyl-N-methylcolchicine; LS-7285; CHEBI:4393; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-5,6,7-trihydrobenzo[a]heptalen-9-on e; V0182; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i; Colcemid™ EUO masculine; AC1L58QT; CCRIS 2764; CC-26333; SMR000058249; ACM477305; 477D305; Colcemid, N-methyl-N-deacetyl-colchicine; (-)-Colchamine; 6,2,3,10-tetramethoxy-7-(methylamino)-benzo[.alpha.]heptalen-9(5H)-one; CTK5B3083; Colchicine, N-deacetyl-N-methyl-; HMS2230L17; DTXSID7020342; MLS002695919; (S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; NSC-3096; Substance F; Kolchamin; DSSTox_RID_75525; Colcemide; CHEMBL312862; N-Deacetyl-N-methylcolchicine solution; MFCD00075459; Reichstein's F; Desacetylmethylcolchicine; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine); Kolchicin; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; MCULE-5448914877; Kolkamin; Colchicine, 7-deacetamido-7-(methylamino)-; Methylcolchicine; Demecolcine [INN:BAN:DCF]; DSSTox_CID_342; cid_220401; NSC 3096; Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NSC3096; MLS001332502; (-)-Demecolcine; Deacetyl-N-methylcolchicine; X 153; Colchamine; Desmecolcine; NCGC00166035-02; Demecolcine, >=98% (HPLC); FT-0603112; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; KS-5002; C21H25NO5; UNII-Z01IVE25KI; Colchicine, deacetyl-N-methyl-; Omaine; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(a)heptalen-9(5H)-one; Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NNJPGOLRFBJNIW-HNNXBMFYSA-N; NSC-403147; Colchine, N-deacetyl-N-methyl; C-12669; NCGC00166035-01; Demecolcine solution, 10 mug/mL in HBSS, ACF Qualified, BioXtra; Demecolcina [INN-Spanish]; EINECS 207-514-6; N-Methyl-N-deacetylcolchicine; SR-01000841244; NSC403147; BG00711418; colcemid; Demicolcine; (7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; BDBM50014872; Alkaloid H 3, from colchicum antumnale; Tox21_112296; API0002097; SCHEMBL8161; (S)-6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)benzo[a]heptalen-9(5H)-one; A827317; 477-30-5; WLN: L B677 MV&T&J CO1 DO1 EO1 JM1 NO1; C-21160; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i EUO masculine; Desmecolchine; Alkaloid H 3; DSSTox_GSID_20342; Colchamin; BRD-K38624570-001-10-7; Santavy's substance F; Demecolcinum [INN-Latin]; SR-01000841244-3; Demecolcinum; Omain; Demecolcina; MLS001332501; Kolchicin [Czech]; 6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methylamino) Benzo (alpha) Heptalen-9(5H)-one; BCBcMAP01_000022; Deacetylmethylcolchicine; Ciba 12669A; Ciba 12669 A; Isoquinoline,3,4-dihydro-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-; AKOS002141248; Demecolcine, Hybri-Max(TM), powder, gamma-irradiated, hybridoma tested; 1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one #; Z01IVE25KI; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one; AC1Q698C; Demecolcin; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one; ZINC3872132; AB0019718; (S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; ST057181; BB_NC-1469; N-Deacetyl-N-methylcolchicine; SMP1_000076; Demecolcine, >=98.0% (sum of enantiomers, HPLC); N-Methyl-N-desacetylcolchicine; N-Desacetylmethylcolchicine |
C21H25NO5 |
371.4 g/mol |
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
|
TCMBANKIN061382 |
sarcosine |
N- methyl glycine |
C3H7NO2 |
89.09 g/mol |
CNCC(=O)O |
|
TCMBANKIN061383 |
Phenylephrine |
Carney glycosides |
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN061386 |
Oxynarcotine |
2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid; AC1NSZCW; SCHEMBL11790808; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]-1-oxoethyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]ethanoyl]benzoic acid; Nornarceine; 2,3-dimethoxy-6-[2-[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]benzoic acid; oxynarcotine; nornarceine |
C22H25NO8 |
431.44 g/mol |
CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
|
TCMBANKIN061387 |
Methanol |
methyl alcohol;OME;Methanol cluster; 40296_RIEDEL; NSC 85232; NSC85232; 65542_FLUKA; a primary alcohol; Acetonitrile:Methanol solution; 662186_ALDRICH; 32213_RIEDEL; 34672_RIEDEL; EPA Pesticide Chemical Code 053801; Colonial spirit; Wilbur-Ellis Smut-Guard; Methylalkohol; 632546_ALDRICH; 40217_RIEDEL; 439193_SIAL; Metanol [Spanish]; UN1230; 34966_RIEDEL; RCRA waste no. U154; primary alcohols; Coat-B1400; ST5214368; Methyl alcohol (NF); 524573_ALDRICH; 34485_RIEDEL; Metanolo; Methanol solution; Metylowy alkohol; Methanol with 0.1% formic acid; 524565_ALDRICH; Alcool methylique [French]; Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]; 414794_ALDRICH; M1775_SIGMA; CHEBI:15734; Pyroxylic spirit; JandaJel-OH; EINECS 200-659-6; 650196_ALDRICH; methanol; 67-56-1; NCGC00091172-01; Methyl hydroxide; 650161_ALDRICH; 179957_ALDRICH; Columbian spirits; 646377_ALDRICH; Primary alcohol; Methanol with 0.1% acetic acid; 632457_ALDRICH; c0132; Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]; 414719_ALDRICH; 34860_SIAL; Dichloromethane:Methanol solution; 633240_ALDRICH; methyl alcohol; Dimethyl sulfoxide:Methanol solution; Methanol with 0.1% ammonium acetate; 650609_ALDRICH; Metanolo [Italian]; C00132; Surflo-B17; RCRA waste number U154; Alcool methylique; CHEBI:17790; Metylowy alkohol [Polish]; Columbian spirits; Alcool metilico [Italian]; Alcohol, methyl; 34885_RIEDEL; 179337_SIAL; 577898_ALDRICH; WLN: Q1; CH3OH; HYDRANAL-Methanol dry; AI3-00409; Caswell No. 552; 54841-71-3; 667390_ALDRICH; 494437_ALDRICH; 414816_ALDRICH; D02309; Wood; 651133_ALDRICH; 1-Alcohol; OMB; 154903_SIAL; HSDB 93; Ideal Concentrated Wood Preservative; Colonial spirits; Freers Elm Arrester; 34940_RIEDEL; 82762_FLUKA; 524581_ALDRICH; METOH; HYDRANAL-Water-in-methanol Standard 5.00; 676780_SIAL; Monohydroxymethane; Methylalkohol [German]; X-Cide 402 Industrial Bactericide; 34802_RIEDEL; 34671_RIEDEL; M1770_SIGMA; Methyl hydrate; wood alcohol; CCRIS 2301; Eureka Products Criosine Disinfectant; HYD-CH2; Columbian spirit; Pyroxylic spirits; Alcool metilico; Wood naphtha; 322415_ALDRICH; 65554_FLUKA; Methanol-water mixture; Methanol with 0.1% trifluoroacetic acid; MOH; MeOH; 24229_RIEDEL; Eureka Products, Criosine; 34741_RIEDEL; 650188_ALDRICH; 34670_RIEDEL; Methylol; 34898_RIEDEL; CHEBI:30879; OXYMETHYLENE BRIDGING GROUP; Wood spirit; AIDS122685; AIDS-122685; 644374_ALDRICH; Bieleski's solution; Solutions, Bieleski's; 34974_RIEDEL; InChI=1/CH4O/c1-2/h2H,1H; RFPDX@; carbinol; METHOXY GROUP |
CH4O |
32.042 g/mol |
CO |
|
TCMBANKIN061388 |
methylether |
Methoxymethane; CHEBI:28887; Methane, oxybis-; EINECS 204-065-8; Methyl ether; Oxybismethane; (CH3)2O; HSDB 354; Dimethyl ether [UN1033] [Flammable gas]; c0147; C11144; InChI=1/C2H6O/c1-3-2/h1-2H; Wood ether; Dimehtylether; Dimethyl oxide; 115-10-6; Demeon D; 157621-61-9; Methyl oxide; Dimethyl ether; UN1033; 295299_ALDRICH; Ether, methyl; Ether, dimethyl; CH3-O-CH3;Dymel A |
C2H6O |
46.07 g/mol |
COC |
|
TCMBANKIN061397 |
3-O-caffeoylquinic acid methyl ester |
3-o-caffeoylquinicacid methyl ester;Chlorogenic acid methyl ester;chlorogenic acid methyl ester; AIDS110020; AIDS-110020; Cyclohexanecarboxylic acid, 3-(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl-Oxy-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-; chlorogenic acid methylester |
C17H20O9 |
368.3 g/mol |
COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
|
TCMBANKIN061399 |
4-dicaffeoylquinic acid methyl ester |
3,4-di-o-caffeoylquinicacid methyl ester; 3,4-di-O-caffeoyl quinic acid methyl ester;4,5-di-O-caffeoylquinic acid methyl ester;macranthoin f |
C26H26O12 |
530.52 g/mol |
COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN061401 |
Methylgallate |
BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin |
C8H8O5 |
184.15 |
COC(=O)C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN061402 |
methyl 3,4-dihydroxybenzoate |
Methyl 3,4-dihydroxybenzoate; 2150-43-8; ZINC00405329; NSC146458; Benzoic acid, 3,4-dihydroxy-, methyl ester; 3,4-Dihydroxybenzoic acid methyl ester; Protocatechuic acid, methyl ester; ST5411547; Methyl protocatechuate; 3,4-dihydroxy methyl benzoate; protocatechuic acid methyl ester |
C8H8O4 |
168.15 g/mol |
COC(=O)C1=CC(=C(C=C1)O)O |
|
TCMBANKIN061403 |
Abiol |
AIDS209944; Methyl Parasept; H3647_SIGMA; Methyl p-hydroxybenzoate; BRN 0509801; FEMA Number 2710; p-Methoxycarbonylphenol; 4-HYDROXY-BENZOIC ACID METHYL ESTER; Benzoic acid, p-hydroxy-, methyl ester; Nipagin M; 4-Hydroxybenzoic acid, methyl ester; Nipagin; p-Oxybenzoesauremethylester [German]; D01400; Methyl chemosept; p-Hydroxybenzoic methyl ester; 4-(Methoxycarbonyl)phenol; Tegosept M; 4-10-00-00360 (Beilstein Handbook Reference); Aseptoform; H6654_SIAL; Methyl 4-hydroxybenzoate; Maseptol; BENZOIC ACID,4-HYDROXY,METHYL ESTER; AI3-01336; NCGC00159376-02; Methylparaben (TN); Metaben; Methyl-p-hydroxybenzoate; 99-76-3; Preserval M; Methylparaben (NF); Methyl parahydroxybenzoate (JP15); ST5214511; p-Hydroxybenzoic acid methyl ester; CCRIS 3946; Methyl ester of p-hydroxybenzoic acid; Methylparaben; p-Hydroxybenzoic acid, methyl ester; Caswell No. 573PP; FEMA No. 2710; NCGC00159376-03; p-Carbomethoxyphenol; Methylben; 47889_SUPELCO; NSC3827; ZINC00001712; AIDS-209944; Preserval; HSDB 1184; Metoxyde; Methaben; Moldex; WLN: QR DVO1; 4-Hydroxybenzoic acid methyl ester; InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H; Solbrol M; Methylparaben [USAN]; 54752_FLUKA; Benzoic acid, 4-hydroxy-, methyl ester; Methyl parahydroxybenzoate; component of Heb-Cort MC; 54750_FLUKA; NSC406127; Methyl Butex; Solbrol; Methyl paraben; Paridol; EINECS 202-785-7; M8911_SIAL; Methyl p-oxybenzoate; NSC 3827; W271004_ALDRICH; EPA Pesticide Chemical Code 061201; Methyl parahydroxybenzoate (TN); Methylester kyseliny p-hydroxybenzoove [Czech]; Septos; methyl p-hydroxybenzoate; 4-hydroxybenzoic acid methyl ester; methyl-4-hydroxybenzoate; Methyl paraben; methylparaben |
C8H8O3 |
152.15 g/mol |
COC(=O)C1=CC=C(C=C1)O |
|
TCMBANKIN061404 |
Clorius |
AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 |
C8H8O2 |
136.15 |
COC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061406 |
Nevoli oil |
2-(Methoxycarbonyl)aniline; FEMA No. 2682; 2-Aminobenzoic acid, methyl ester; AI3-01022; W268208_ALDRICH; CCRIS 1349; Methyl o-aminobenzoate; NCGC00091409-01; Anthranilic acid methyl ester; Methyl anthranilate; ZINC00157525; Methyl 2-aminobenzoate; o-Aminobenzoic acid, methyl ester; W268216_ALDRICH; Methylester kyseliny anthranilove [Czech]; 2-Carbomethoxyaniline; Neroli oil, artificial; WLN: ZR BVO1; 236454_ALDRICH; 2-Aminobenzoic acid methyl ester; Neroli oil, artifical; Epa Pesticide Chemical Code 128725; LS-775; 134-20-3; BRN 0606965; Anthranilic acid methylester; M29703_ALDRICH; Anthranilic acid, methyl ester; BENZOIC ACID METHYL ESTER,2-AMINO; Methyl anthranilate (natural); o-Aminobenzoic acid methyl ester; NSC 3109; HSDB 1008; Benzoic acid, 2-amino-, methyl ester; NSC3109; o-Carbomethoxyaniline; PS2055_SUPELCO; InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H; EINECS 205-132-4; 10730_FLUKA; METHYLANTHRANILATE; BB_SC-2799; Amino methyl benzoate, o-;Methyl anthranilate;Neroli;Benzoic acid, 2-amino-, methyl ester;methylanthranilate |
C8H9NO2 |
151.16 |
COC(=O)C1=CC=CC=C1N |
|
TCMBANKIN061407 |
methyl salicylate |
NCGC00091106-02; Birch oil, sweet; Methyl salicylate (JP15/NF); Methylester kyseliny salicylove [Czech]; Gaultheriaoel; Spicewood Oil; Birch oil; InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H; Betula Lenta; 4-10-00-00143 (Beilstein Handbook Reference); FEMA Number 2745; Theragesic; EPA Pesticide Chemical Code 076601; Panalgesic; 2-Hydroxybenzoic acid, methyl ester; 76631_FLUKA; 119-36-8; o-Hydroxybenzoic acid, methyl ester; 2-Carbomethoxyphenol; Teaberry oil; Metylester kyseliny salicylove [Czech]; M2047_SIAL; Methyl salicylate (natural); 84332_FLUKA; Analgit; Flucarmit; Methyl o-hydroxybenzoate; Sweet birch oil; Methyl salicylate (TN); Methyl salicylate [JAN]; Gaultheria oil; Wintergruenoel; Enamine_001611; Oil of Wintergreen; M6752_SIAL; Synthetic Wintergreen Oil; 8022-86-4; Betula oil; Gaultheria Oil, artificial; Betula; Wintergreen oil; Metylester kyseliny salicylove; 2-Hydroxybenzoic acid methyl ester; Exagien; EINECS 204-317-7; FEMA No. 2745; 2-(Methoxycarbonyl)phenol; WLN: QR BVO1; W215481_ALDRICH; LS-616; Caswell No. 577; AI3-00090; W274518_ALDRICH; NSC8204; Methyl 2-hydroxybenzoate; W311308_ALDRICH; Natural Wintergreen Oil; C12305; ZINC00000490; HSDB 1935; T0505-2596; Benzoic acid, 2-hydroxy-, methyl ester; Methyl salicylate; D01087; 8024-54-2; BRN 0971516; NSC 8204; NCGC00091106-01; Wintergreen Oil, synthetic; CCRIS 6259; Salicylic acid, methyl ester; Methyl hydroxybenzoate; salicylic acid,methyl ester; Gaultheriaoel |
C8H8O3 |
152.15 g/mol |
COC(=O)C1=CC=CC=C1O |
|
TCMBANKIN061411 |
Deacetyl asperulosidic acid methyl ester |
methyldeacetylasperulosidate, methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; deacetyl asperulosidicacid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; deacetyl asperulosidic acid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate |
C17H24O11 |
404.4 g/mol |
COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN061421 |
benzeneaceticacid,methylester |
Methyl phenylacetate;I14-7331; Methyl .alpha.-toluate; methy phenylacetate; Tox21_300792; EC 202-940-9; ANW-14465; EBD50083; ACMC-2097v7; BB_SC-7169; CAS-101-41-7; KB-54814; CHEMBL3189123; 101-41-7; CS-W018528; RTR-000377; MCULE-9593207528; D4PDC41X96; ZINC00388061; FT-0653159; SCHEMBL4675; AK163377; CJ-03094; alpha-phenylacetic acid methyl ester; KSC175C1T; NCGC00248170-01; SC-26761; Phenylacetic acid methyl; Methyl alpha-toluate; Phenylacetic acid methyl ester; benzene acetic acid methyl ester; FEMA 2733; TR-000377; Mephaneine; MolPort-001-788-281; STL146152; Acetic acid, phenyl-, methyl ester; AKOS000119976; BBL010506; DSSTox_CID_24352; Methyl phenylacetate, >=98%, FCC, FG; Methyl benzeneethanoate; METHYL PHENYLACETATE; InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H; KS-00000GN1; AC1Q5ZUJ; 2-Phenylacetic acid methyl ester; Methyl 2-phenyl acetate; ZINC388061; EINECS 202-940-9; SBB058223; Methyl phenylacetate, ReagentPlus(R), >=99%; DSSTox_GSID_44352; MFCD00008453; ZB011258; Methyl benzene acetate; Methyl phenylethanoate; Methyl phenylacetate, Vetec(TM) reagent grade, 98%; NSC-9405; 78540_FLUKA; UNII-D4PDC41X96; LS-2954; NSC 401667; Methyl benzeneacetate; NSC-401667; FEMA No. 2733; AN-24576; TRA-0184135; NSC401667; CRZQGDNQQAALAY-UHFFFAOYSA-N; DTXSID1044352; Phenylacetic acid, methyl ester; DSSTox_RID_80161; P0125; methyl 2-phenylethanoate; RP17360; AB1011175; Methyl ester of Phenylacetic acid; methyl phenyl acetate; 108057_ALDRICH; WLN: 1OV1R; AC1L1P1D; Benzeneacetic acid, methyl ester; METHYLPHENYLACETATE; CTK0H5119; Methyl phenylacetate, analytical standard; ST50824226; Phenyl-acetic acid methyl ester; Methyl 2-phenylacetate; NCGC00254696-01; ST24047740; Methyl alpha-toluate; methyl phenylacetate; NSC9405; AI3-01971; 2-phenylacetic acid methyl ester; W273309_ALDRICH; Phenylacetic Acid Methyl Ester |
C9H10O2 |
150.17 g/mol |
COC(=O)CC1=CC=CC=C1 |
|
TCMBANKIN061425 |
Methyl azelate |
NSC 59040; Dimethyl nonanedioate; 1732-10-1; Azelaic acid, dimethyl ester (8CI); Azelaic acid dimethyl ester; EINECS 217-060-0; 171026_ALDRICH; AI3-06080; Dimethyl azelate; ZINC01689486; Azelaic acid, dimethyl ester; 141850-72-8; NSC59040; nonanedioic acid dimethyl ester; Nonanedioic acid, dimethyl ester; DSSTox_GSID_44807; NSC 59040; X6034; Nonadioic acid, dimethyl ester; AN-20705; MCULE-3415352484; MFCD00025898; AS-19256; AJ-29983; Nonanedioic Acid Dimethyl Ester; FT-0622519; I14-45046; DSSTox_RID_80490; CHEMBL3188858; ST24030377; AK112196; NSC59040; Dimethyl azelate, >=98.5% (GC); Nonandioic acid, dimethyl ester; Dimethyl azeleate; NCGC00256050-01; KB-251652; UNII-29185K7OEI; Tox21_301713; 1732-10-1; Azelaic acid dimethyl ester; AI3-06080; DB-023082; dimethylazelate; 141850-72-8; AKOS015913922; Nonanedioic acid, dimethyl ester; KS-000014JH; Emery 2914; Azelaic acid, dimethyl ester (8CI); 29185K7OEI; CAS-1732-10-1; EINECS 217-060-0; DRUKNYVQGHETPO-UHFFFAOYSA-N; ST50825660; Dimethyl azelate; Azelaic acid, dimethyl ester; Azelaic acid,dimethyl ester; SCHEMBL118000; MolPort-003-927-086; NSC-59040; Dimethyl azelaate #; AC1L269C; 1,9-dimethyl nonanedioate; C-11681; DTXSID1044807; DIMETHYL NONANEDIOATE; EC 217-060-0; Dimethyl azelate, technical grade, 80%; ACMC-209e65; ZINC1689486; ANW-22635; AX8125373; M112322; Nonanedioic acid, 1,9-dimethyl ester; dimethyl nonane-1,9-dioate; CC-26948; TC-111380; SBB060332; DSSTox_CID_24807; EBD2210782; CTK8B1001; Methyl azelate; dimethyl azelate |
C11H20O4 |
216.27 g/mol |
COC(=O)CCCCCCCC(=O)OC |
|
TCMBANKIN061430 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol;methyl-β-D-fructofuranoside |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061437 |
Mucronulatol |
(3S)-mucronulatol;mucronulatol; 20878-97-1; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-7-chromanol; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)chroman-7-ol; C10507; (3S)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-ol |
C17H18O5 |
302.32 |
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O |
|
TCMBANKIN061444 |
Pedalitin |
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-; FLAVONE, 3',4',5,6-TETRAHYDROXY-7-METHOXY-; 5,6,3',4'-Tetrahydroxy-7-methoxyflavone; BRN 1296526; 3',4',5,6-Tetrahydroxy-7-methoxyflavone; pedalitin; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-chromenone; 22384-63-0; 5-18-05-00543 (Beilstein Handbook Reference); C10119; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromone; 5,6,3',4'-tetrahydroxy-7-methoxyflavone |
C16H12O7 |
316.26 |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN061445 |
cirsiliol |
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 6,7-Dimethoxy-5,3',4'-trihydroxyflavone; AKOS025287589; 3',4',5-trihydoxy-6,7-dimethoxyflavone; CTK8I3082; 3',4',5-Trihydroxy-6,7-dimethoxyflavone; ST50331608; LS-193892; BDBM50025321; DTXSID60187907; AC1L4N9W; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-; 5,3'',4''-Trihydroxy-6,7-dimethoxyflavone; CHEMBL72637; AC1Q6AIE; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; 5,3',4'-trihydroxy-6,7-dimethoxyflavone; 34334-69-5; C10033; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromone; ZINC4098510; MCULE-9854332110; 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; MFCD00210577; ST5331608; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; MolPort-009-754-980; CHEBI:3719; FT-0620861; 6-methoxyluteolin 7-methyl ether; LMPK12111227; SCHEMBL1614677; Cirsiliol; 3',4',5-TRIHYDROXY-6,7-DIMETHOXY FLAVONE; 5,3′,4′-trihydroxy-6,7-dimethoxyflavone |
C17H14O7 |
330.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC |
|
TCMBANKIN061447 |
cirsimaritin |
Skrofulein;7-Methylcapillarisin;C17785; MolPort-000-779-119; 6601-62-3; W1605; Flavone, 4',5-dihydroxy-6,7-dimethoxy-; cirsimaritin ; DTXSID00216220; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; 5,4''-Dihydroxy-6,7-dimethoxyflavone; SMR000440660; AC1L4MLD; AC1Q6AIG; D06NRZ; Cirsimaritin; 4CN-1595; CHEMBL348436; 6-Methoxygenkwanin; CTK2F4258; CHEBI:81337; LMPK12111163; Skrofulein; AKOS030556306; NCGC00169297-01; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one; cirsimartin; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one #; SCHEMBL1663486; cid_188323; ZINC1081537; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-; NP-001331; 4',5-Dihydroxy-6,7-dimethoxyflavone; BRD-K58305393-001-01-2; PubChem SID: 26725076; MEGxp0_000498; 5-Hydroxy-2-(4-hydroxy-phenyl)-6,7-dimethoxy-chromen-4-one; 6,7-Dimethoxyscutellarein; ZIIAJIWLQUVGHB-UHFFFAOYSA-N; MCULE-1790924522; ACon1_000850; AK587011; Scrophulein; BDBM50049394; HMS2271M05; Cirsimaritin, >=90% (LC/MS-ELSD); 7-Methylcapillarisin; LS-193899; MLS000876998;5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-chromen-4-one; 7-methylcapillarisin; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-chromone;MLS000876998; 6601-62-3; Cirsimaritin; MEGxp0_000498; Flavone, 4',5-dihydroxy-6,7-dimethoxy-; ACon1_000850; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromone; SMR000440660; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; ZINC01081537; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-chromenone; 4',5-Dihydroxy-6,7-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy- |
C17H14O6 |
314.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN061448 |
7-methoxybaicalein |
5,6-dihydroxy-7-methoxy-2-phenyl-chromen-4-one; 4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-phenyl-; ZINC00039288; Baicalein-7-methylether; AIDS071771; ST055981; 5,6-dihydroxy-7-methoxy-2-phenyl-chromone; 29550-13-8; 5,6-dihydroxy-7-methoxy-2-phenyl-4-chromenone; AIDS-071771; 5,6-Dihydroxy-7-methoxy-2-phenyl-4H-chromen-4-one; 7-Methoxybaicalein; 5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one; Negletein |
C16H12O5 |
284.26 |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O |
|
TCMBANKIN061449 |
5-hydroxy-6,7-dimethoxy flavone;Mosloflavone |
5-hydroxy-6,7-dimethoxyflavone;4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-phenyl-; ACon1_000627; AIDS-071775; 5-Hydroxy-6,7-dimethoxyflavone; AIDS071775; MEGxp0_001406; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromone; 5-hydroxy-6,7-dimethoxy-2-phenyl-4-chromenone; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromen-4-one; 740-33-0; 5-hydroxy-6,7-dimethoxy-2-phenylchromen-4-one |
C17H14O5 |
298.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)OC |
|
TCMBANKIN061453 |
31098-60-9 |
mecambridine;(-)-mecambridine;27341-28-2; 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)- |
C22H25NO6 |
399.44 |
COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC |
|
TCMBANKIN061458 |
2,6-dimethoxyphenol |
2,6-dimethoxy-phenol;Aldrich;FEMA No. 3137; ZINC00154666; 1,3-Di-o-methylpyrogallol; 38772_FLUKA; 1,3-Dimethoxy-2-hydroxybenzene; 2,6-Dwumetoksyfenol [Polish]; Phenol, 2,6-dimethoxy-; C10787; D135550_ALDRICH; W313726_ALDRICH; CHEBI:955; Pyrogallol 1,3-dimethyl ether; Syringol; EINECS 202-041-1; 91-10-1; W313718_ALDRICH; Pyrogallol dimethylether; 2-Hydroxy-1,3-dimethoxybenzene; 2,6-Dimethoxyphenol; 1,3-Dimethyl pyrogallate |
C8H10O3 |
154.16 g/mol |
COC1=C(C(=CC=C1)OC)O |
|
TCMBANKIN061459 |
1,2,3-trimethoxybenzene |
1,2,3-trimethoxy-benzene;634-36-6; 92159_FLUKA; 137995_ALDRICH; NSC10124; NSC 10124; ZINC00152503; ST5406631; Benzene, 1,2,3-trimethoxy-; Tri-O-methylpyrogallol; Pyrogallol trimethyl ether; AI3-02077; Methylsyringol (VAN); EINECS 211-207-2; 1,2,3-Trimethoxybenzene |
C9H12O3 |
168.19 g/mol |
COC1=C(C(=CC=C1)OC)OC |
|
TCMBANKIN061463 |
arcapillin |
areapillin;2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromone; AIDS104951; Arcapillin; Areapillin; 83162-82-7; 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-; AIDS-104951; 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; 2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one |
C18H16O8 |
360.31 g/mol |
COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O |
|
TCMBANKIN061466 |
Isovanillic acid |
BRN 2208365; Benzoic acid, 3-hydroxy-4-methoxy-; ST5406548; InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11; 3-Hydroxyanisic acid; 220108_ALDRICH; Acide isovanillique; 3-HYDROXY-4-METHOXYBENZOIC ACID; isovanillic acid; EINECS 211-430-5; p-Anisic acid, 3-hydroxy-; 3-Hydroxy-p-anisic acid; 3-hydroxy-4-methoxy-benzoic acid;3-hydroxy-4-methoxy benzoicacid;3-Hydroxy-4-methoxybenzoic acid; 3- hydroxy- 4- methoxy- benzoic acid |
C8H8O4 |
168.15 g/mol |
COC1=C(C=C(C=C1)C(=O)O)O |
|
TCMBANKIN061467 |
VERATRIC ACID |
AIDS018091; Spectrum4_001582; Spectrum3_001774; Spectrum_000512; ST5213870; SPBio_001124; KBio2_006128; D131806_ALDRICH; BSPBio_003267; EINECS 202-215-7; SDCCGMLS-0066972.P001; NSC 7721; 3,4-Dimethoxybenzoic acid; KBio2_003560; Dimethylprotocatechuic acid; KBioGR_002164; 4-10-00-01460 (Beilstein Handbook Reference); InChI=1/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11; SPECTRUM212140; NSC7721; AIDS-018091; BRN 0518285; 3,4-Dimethylprotocatechuic acid; Benzoic acid, 3,4-dimethoxy-; Spectrum2_001082; KBio2_000992; KBio3_002768; KBioSS_000992; 93-07-2; 94872_FLUKA; Spectrum5_000264; NCGC00095539-01; 3,4-dimethoxy-benzoic acid; 3,4-dimethoxy benzoic acid |
C9H10O4 |
182.17 g/mol |
COC1=C(C=C(C=C1)C(=O)O)OC |
|
TCMBANKIN061469 |
isoferulic acid |
4CH-004345; KBio3_001774; NSC-51987; 4FE; Spectrum3_000887; 25522-33-2; ST098721; FCH3451845; AX8011852; 537-73-5; V0307; CHEBI:27794; Bio-0194; 3-Hydroxy-4-methoxycinnamate; KBio2_004107; CS-W020120; (E)-3'-Hydroxy-4'-methoxycinnamic acid; ZINC156055; 3-Hydroxy-4-methoxycinnamic acid; BRN 2212760; M-2347; SpecPlus_000233; 2-Propenoic acid,3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; C10470; SCHEMBL249041; N1393; 4-10-00-01777 (Beilstein Handbook Reference); QURCVMIEKCOAJU-HWKANZROSA-N; XSQ2K2G7MC; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97%; EINECS 208-676-0; Spectrum4_000979; 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid; NCGC00247490-01; 3-hydroxy-4-methoxy-Cinnamate; 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid; AK676011; AM20040660; Isoferulate; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; 3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(3-hydroxy-4-methoxyphenyl)acrylic acid; AC1LEHK0; PubChem8187; ST2404733; Cinnamic acid, 3-hydroxy-4-methoxy-; 2-Hydoxy-4-methoxy-5-sulfobenzophenone; KBioSS_001539; UNII-XSQ2K2G7MC; TX-011905; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans; 3-hydroxy-4-methoxy-cinnamic acid; 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Z2693271860; HMS2268G06; BG01510484; SMR001215828; GTPL7980; ST5135831; 103012_ALDRICH; BBV-025077; BDBM50241245; SC-05161; (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; AC1Q4691; MolPort-000-490-526; (E)-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid; CI-177; isoferulic acid ; KBio2_006675; AX8329161; AC1Q5T96; MFCD00004391; EINECS 247-071-6; DivK1c_006329; Q-100609; AC1Q5RAQ; FCH089654; Hesperetic acid; 537H735; KBio1_001273; KBioGR_001357; AK-88788; MLS000563054; Hesperetate; I01-2711; bmse000618; trans-Isoferulic acid, analytical standard; (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Spectrum_001059; AKOS000141174; (E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; RP25302; Cinnamic acid, 3-hydroxy-4-methoxy- (8CI); STR05122; SBB042817; Isoferulasaure; MS-11465; AB0019799; D04EWW; Isoferulic acid; 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-Hydroxy-4-methoxycinnamic-acid; (2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid #; (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; AC1Q4690; NSC51987; AJ-13677; KBio2_001539; Hespertitinic acid; NSC 51987; DB07109; EN300-50983; SCHEMBL249042; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-; CHEMBL233295; KB-182983; 3-(3-hydroxy-4-methoxyphenyl)-2-Propenoate; MCULE-7013523945;hespereticacid |
C10H10O4 |
194.18 |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
|
TCMBANKIN061473 |
Isovanillin |
3-Hydroxy-4-anisaldehyde; 3-Hydroxy-4-methoxybenzaldehyde; FT-0615821; ANW-34085; 4-Methoxy-3-hydroxy-benzaldehyde; DSSTox_RID_83498; ACMC-209n07; 4-methoxy-5-hydroxybenzaldehyde; NCGC00247609-01; BR-26987; SMR000156287; 143685_ALDRICH; BG01499429; CHEMBL275563; AK-26987; SBB008245; SC-05820; Q-100718; 3-Hydroxy-4-methoxybenzaldehyde; 3-hydroxy-4-anisaldehyde; MCULE-7646011311; 621-59-0; PubChem7770; F1995-0251; RTC-060637; 3-hydroxy-4-methoxy- benzaldehyde; 3-hydroxy-4-methoxy- benzaldehyde;BB_NC-2245; 3-Hydroxyanisaldehyde; AJ-16240; DSSTox_GSID_49423; 4A9N90H9X6; PS-4589; Isovanilline; 3-Hydroxy-para-anisaldehyde; MolPort-000-146-016; 3-hydroxy-4methoxy-benzaldehyde; NSC82996; SCHEMBL70256; BC204204; JVTZFYYHCGSXJV-UHFFFAOYSA-N; Tox21_202858; 4-Methoxy-3-hydroxybenzaldehyde; KS-000002MN; DTXSID7049423; 3-hydroxy-4-methoxy benzaldehyde; p-Anisaldehyde, 3-hydroxy- (8CI); Benzaldehyde, 3-hydroxy-4-methoxy-; AN-15747; D0E9CD; EBD684885; isovanillin; I0519; LS10550; A833619; 59927_FLUKA; HMS3348H19; Isovanicaline; 4-methoxy-3-oxidanyl-benzaldehyde; 3-Hydroxy-4-methoxy-benzaldehyde; LS-25072; 4-08-00-01764 (Beilstein Handbook Reference); HMS2194I16; AC-541; KSC354M3B; ZINC164617; Isovanillin, >=95.0%; ISOVANILLIN; ST50213460; I01-0153; BBL023550; NCGC00260404-01; BG00600677; NSC 82996; WLN: VHR CQ DO1; isovanilin; BRN 1073021; NSC-82996; 3-hydroxy-4-methoxy-benzaldehyde; CJ-02189; ZB008229; MLS000574853; Oxy-3 methoxy-4 benzaldehyde; DSSTox_CID_29383; CS-W009023; NCIOpen2_001085; 3-Hydroxy-4-methoxybenzaldehyde, 99%; DB-010058; 3-Hydroxyanisaldehyde; Isovanillin; 59940_FLUKA; ST24022906; AC1Q469E; STK400134; TRA0093875; InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H; AKOS000120260; 3-hydroxy4-methoxybenzaldehyde; M-6105; CAS-621-59-0; TC-060637; TL8004050; AB1002458; CM13992; Oxy-3 methoxy-4 benzaldehyde [French]; p-Anisaldehyde, 3-hydroxy-; CTK2F4630; iso-Vanillin; AC1L1YWO; 5-Formylguaiacol; FT-0615853; 21I590; isovaniline; ZINC00164617; RP21587; KB-32136; BDBM50240367; 3-Hydroxy-p-anisaldehyde; P-Anisaldehyde, 3-hydroxy-(8CI); UNII-4A9N90H9X6; EINECS 210-694-9; MFCD00003369 |
C8H8O3 |
152.15 |
COC1=C(C=C(C=C1)C=O)O |
|
TCMBANKIN061474 |
3, 4-dimethoxybenzaldehyde |
DSSTox_CID_6285; Verapamil Impurity G; 4,3-dimethoxybenzaldehyde; D0507; RTC-010113; BBL010373; SBB040236; AH-034/32845024; F2190-0618; Benzaldehyde, 3,4-dimethoxy-; 3,4-dimethoxybenzaldehyde (veratraldehyde); FT-0600118; FEMA 3109; AC1Q4FDU; LS-628; BC622797; Veratrumaldehyde; 107052-EP2374783A1; BR-46721; 3,4-DIMETHOXYBENZALDEHHYDE; ACN-051072; NCGC00091642-02; Vanillin methyl ether; 3,4-Dimethoxybenzenecarbonal; AM20050100; Protocatechuecaldehyde dimethyl ether; ST45169641; 3,4-Dimethoxybenzaldehyde, 99%; VERATRALDEHYDE; p-Veratric aldehyde; AB1000043; TIMTEC-BB SBB040236; DSSTox_GSID_26285; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; ACT06905; LABOTEST-BB LT00235863; I01-2283; Protocatechualdehyde dimethyl ether; OTAVA-BB 1180632; VERATRYLALDEHYDE; CTK0H5284; PubChem8238; KB-28345; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 107052-EP2295423A1; ANW-17460; ZB006061; NSC-8500; AC1Q46T0; WLN: VHR CO1 DO1; DTXSID7026285; AS-11996; Veratrum aldehyde; 3,4-Dimethoxy benzaldehyde; CHEMBL1088937; MFCD00003363; Tox21_201566; STK188425; 4CN-0811; TL806334; DSSTox_RID_78087; 3,4-dimethoxybenzaldeyde; NCGC00257217-01; Benzaldehyde, 3,4-dimethoxy-veratraldehyde; 3,4-Dimethoxybenzaldehyde (Verapamil Related Compound E - USP), Pharmaceutical Secondary Standard; Certified Reference Material; KSC175E8J; BB_NC-2052; Vanillin methyl ether; Veratraldehyde; AC1L1QYK; NSC 24521; 3,4dimethoxybenzaldehyde; NSC24521; NCGC00259115-01; AKOS000118989; Benzaldehyde,4-dimethoxy-; 4-O-Methylvanillin; AI3-08099; Veratric aldehyde; 3,4-dimethoxybenzaidehyde; 107052-EP2377841A1; CM13990; RP22905; UI88P68JZD; AKOS BBS-00003208; SCHEMBL25202; TC-010113; bmse010220; LABOTEST-BB LT03331050; MolPort-000-871-214; WJUFSDZVCOTFON-UHFFFAOYSA-N; Methylvanillin; AS02987; NSC8500; ST2410267; UNII-UI88P68JZD; BRN 0473899; 107052-EP2298744A2; AN-22815; KS-00000AZ9; MCULE-1202068347; 120-14-9; NE10275; NSC-24521; TRA0003531; 4,5-dimethoxybenzaldehyde; AC-10201; 3,4-DIMETHOXY-BENZALDEHYDE; C02201; CAS-120-14-9; DB-014213; 3,4-Dimethoxybenzaldehyde; CHEBI:17098; NCGC00091642-01; 3, 4-Dimethoxybenzaldehyde; AJ-13584; 3,4 dimethoxybenzaldehyde; FEMA No. 3109; Veratral; CJ-01437; Veratraldehyde, >=98%, FG; ACMC-209a6e; NCGC00091642-03; AK-46721; Tox21_303074; W-108485; ZINC155456; CS-W019906; SC-00570; Verapamil Related Compound E, United States Pharmacopeia (USP) Reference Standard; EINECS 204-373-2; Veratryl aldehyde; ST5213394; AH-034/32845024; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 3,4-Dimethoxybenzaldehyde; Benzaldehyde, 3,4-dimethoxy-; 94860_FLUKA; CHEBI:17098; WLN: VHR CO1 DO1; C02201; NCGC00091642-01; Veratrum aldehyde; NCGC00091642-02; Vanillin methyl ether; Methylvanillin; FEMA No. 3109; 3,4-Dimethoxybenzenecarbonal; Protocatechuecaldehyde dimethyl ether; W310905_ALDRICH; NSC8500; ZINC00155456; p-Veratric aldehyde; BRN 0473899; Veratraldehyde; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; 120-14-9; NSC24521; NSC 24521; 4-O-Methylvanillin; 4-08-00-01765 (Beilstein Handbook Reference); AI3-08099; 143758_ALDRICH; Protocatechualdehyde dimethyl ether; Veratric aldehyde; EINECS 204-373-2; 3,4-DIMETHOXY-BENZALDEHYDE; Veratryl aldehyde; veratraldehyde; methylvanillin; Veratral |
C9H10O3 |
166.17 g/mol |
COC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN061476 |
EUPATIN |
flavonoid;3,5,3'-Trihydroxy-6,7,4'-trimethoxy flavone; eupatin; AIDS012219; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one; 19587-65-6; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-; NSC122412; Flavone, 3,3',5-trihydroxy-4',6,7-trimethoxy-; Veronicafolin; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone; 3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; Flavonoid K; AIDS-012219; NSC 122412 |
C18H16O8 |
360.31 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O |
|
TCMBANKIN061478 |
artemisetin |
UNII-73KMT7R64H; Penta-O-methylquercetagetin; Flavone, 5-hydroxy-3,3',4',6,7-pentamethoxy-; MEGxp0_002022; 5'-Hydroxy-3,3',4',6,7-pentamethoxyflavone; ACon1_000985; BRD-K39946608-001-01-8; ARTEMISETIN(P); 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; CHEMBL225700; LMPK12113017; RIGYMJVFEJNCKD-UHFFFAOYSA-N; 3,6,7,3',4'-pentamethylquercetagetin; NCGC00169786-01; AKOS032948424; ZINC5733763; 5-Hydroxy-3,3',4',6,7-pentamethoxyflavone; 479-90-3; Quercetagetin 3,6,7,3',4'-pentamethyl ether; 5-hydroxy-3,3',4',6,7-pentamethoxy-flavone; Artemisetin; SCHEMBL2122576; Artemetin; AC1NSZD5; DTXSID20197325; Quercetagetin-3,6,7,3',4'-pentamethylether; W1655; MolPort-001-742-702; 4CN-1415; BG01675906; 5-Hydroxy-3,6,7,3',4'-pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one; Erianthin; 73KMT7R64H; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one #; artemetin |
C20H20O8 |
388.4 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC |
|
TCMBANKIN061479 |
tamarixetin |
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; FPLMIPQZHHQWHN-UHFFFAOYSA-N; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-3,3',5,7-tetrahydroxyflavone; 4'-methoxy-3,5,7,3'-tetrahydroflavone; 4'-O-Methyl Quercetin; D06PZE; CC-34633; tamarixetin ; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); CHEBI:67492; Tamaraxetin; W2755; SCHEMBL892776; 4'-O-Methylquercetin; 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; Tamarixetin; Quercetin-4'-methylether; BDBM50325674; 4'-Methoxyquercetin; quercetin 4'-methyl ether; C-19473; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 603-61-2; MolPort-001-741-910; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; FT-0603487; AKOS024287252; UNII-73WRA8Z8M8; ZINC6484604; C10188; ST5331691; 73WRA8Z8M8; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; AC1NQYX7; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; MFCD00017308; 3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside; LMPK12110606; MCULE-8124433804; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; DTXSID00209056; Quercetin 4'-methyl ether; ST50331691; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 3-O-rhamnopyranosyl-1-2-glucopyranoside; CHEMBL226034; 4'- methoxy- 3,3',5,7- tetrahydroxy flavone |
C16H12O7 |
316.26 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061486 |
5-hydroxy-3',4',6,7-tetramethoxyflavone |
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromone; AIDS218321; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; AIDS-218321; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; HTMF; 5-hydroxy-3′,4′,6,7-tetramethoxyflavone; 5-hydroxy-6,7,3',4'-tetramethoxyflavone; 5-hydroxy-6,7,3 ', 4'-tetramethoxy flavone; AC1L48C3; 57296-14-7; 3'-O-methyl-eupatorin; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; BDBM50092614; DTXSID50176163; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 3,5-dihydroxy-6,7,3',4'-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromen-4-one; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-; AK583634; QEWSAPKRFOFQIU-UHFFFAOYSA-N; HTMF; SCHEMBL3131502; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; CTK4E7643; 5-hydroxy-6,7-dimethoxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4-chromenone; CHEMBL226508; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one; LMPK12111243; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromone; AKOS030553584; Belamcanidin; 6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one #; 5-demethylsinensetin; belamcanidin; 3,5-Dihydroxy-6,7,3',4'-tetramethoxyflavone; belamcadin |
C19H18O7 |
358.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
|
TCMBANKIN061487 |
5,6,7,3,4-pentamethoxyflavone |
Sinensetin; API0004181; Pedalitin permethyl ether; SR-05000002257-3; A816546; BC282855; KB-221448; 5,6,7,3',4'-Pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4-chromenone; Flavone, 5,6,7,3',4'-pentamethoxy; AKOS016009570; N2560; 240LNZ51AT; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one #; CS-5907; FT-0634191; DTXSID60177626; ST24039240; C10186; NCGC00163623-01; SR-05000002257; 3'',4'',5,6,7-pentamethoxy flavone; sinensetin; CCG-208419; CHEMBL226507; AN-50682; DB-046067; C-57750; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one; HY-N0297; 27181-91-5; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one; MEGxp0_000957; CHEBI:9159; CJ-24105; ZINC1531698; ST5331679; X1234; UNII-240LNZ51AT; SR-05000002257-2; BRD-K84996949-001-01-5; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one; MolPort-001-741-112; 3',4',5,6,7-Pentamethoxyflavone; VA11761; BDBM50338975; AJ-26732; MFCD00017421; AK111262; 306S276; KB-221449; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one; LKMNXYDUQXAUCZ-UHFFFAOYSA-N; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-; AC1L3RN3; 2306-27-6; 5,6,7,3'',4'' -pentamethoxyflavone; SCHEMBL621101; LMPK12111250; TR-010778; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromone; CTK4F9237; ST50331679 |
C20H20O7 |
372.37 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
|
TCMBANKIN061491 |
luteolin- 3',4',7-trimethyl ether |
5-hydroxy-7,3',4'-trimethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-chromenone; AIDS-218320; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one; AIDS218320; 29080-58-8; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one; 5-hydroxy-7,3 ', 4'-trimethoxy flavone |
C18H16O6 |
328.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
|
TCMBANKIN061494 |
nobiletin |
Spectrum4_001020; 38664-96-9; 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone; CHEBI:28819; UNII-N7TD9J649B; MCULE-5348711723; SDCCGMLS-0066776.P001; N7TD9J649B; cid_442428; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon; EINECS 233-566-4; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringenin 7-Rhamnoglucoside; 30552-25-1; BSPBio_000574; NCGC00142617-03; MEGxp0_000930; HMS2231M18; J10148; GTPL4738; CS-5632; BDBM50241582; NCGC00142617-02; CCG-208591; 10236-47-2; 7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; AIDS-003056; HY-N0153; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox; MLS000574877; 30174-44-8; NCI60_041691; Naringenine-7-rhamnosidoglucoside; NSC618903; Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside; DTXSID6022478; STOCK1N-40898; ACon1_000139; (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; N2371; AIDS003056; naringin; Prestwick2_000467; MolPort-001-742-592; (2S)-Naringin; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone; 5,6,7,8,3',4'-Hexamethoxyflavone; Flavone, 5,6,7,8,3',4'-hexamethoxy; DFPMSGMNTNDNHN-ZPHOTFPESA-N; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Spectrum2_001697; 17784-35-9; KBio3_001922; SPBio_002513; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-; Nobiletin; Spectrum3_000921; ACon1_000921; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; IDI1_000247; Prestwick0_000467; BIDD:ER0262; NSC 76751; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl); s2329; naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside); NCGC00142617-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI); MFCD00148888; BG00878320; ZINC8143604; Naringin (Naringoside); Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2; Prestwick3_000467; 10236-69-8; BRD-K02953697-002-03-3; cid_25075; SR-01000736681; NINDS_000247; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; SR-01000736681-4; MLS000877030; MLS000759462; SPECTRUM1505268; 478-01-3; ST072162; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; AS-12929; 11032-31-8; C10112; CHEMBL451532; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringin hydrate; 236N472; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-; KBioGR_001519; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; DivK1c_000247; Naringenin 7-O-neohesperidoside; CC-32461; 4'5-diOH-Flavone-7-rhgluc; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SCHEMBL23432; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; MLS000069459; HMS500M09; Naringenin-7-beta-neohesperidoside; (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Prestwick1_000467; AKOS016034302; AI3-19008; NCGC00095703-01; Naringoside; aurantiin; C09789; Hexamethoxyflavone; SMR000156231; 109010-50-6; KBio1_000247; AC1L9CSZ; yphenyl)chroman-4-one; ZINC01531669; Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]; MEGxp0_001877; C27H32O14; NSC76751; SPBio_001654; SR-01000736681-5; C-23277; BPBio1_000632;5,6,7,8,3',4'-hexamethoxyflavone |
C21H22O8 |
402.4 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
|
TCMBANKIN061495 |
Tetramethoxyluteolin |
ZINC01081533; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromone; 5,7,3',4'-Tetramethylluteolin; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one; 855-97-0; Luteolin tetramethylether; 3',4',5,7-Tetramethyl-luteolin; ST5309218; 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromen-4-one; 3',4',5,7-Tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-chromenone |
C19H18O6 |
342.34g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC |
|
TCMBANKIN061497 |
3'-Hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside; calycosin-7-O-beta-D-glucoside; Calycosin-7-O-beta-D-glucopyranoside |
3-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 3'-hydroxy-4'-methoxyisoflavone-7-o-β-d-glucoside; 3-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 3'-hydroxy-4'-methoxyisoflavone-7-o-beta-d-glucoside; Calycosin-7-O-β-D- glucoside |
C22H22O10 |
446.4 |
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN061499 |
odoratin |
ZINC14759160; NCGC00385697-01!7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one; BDBM50441625; 53948-00-8; 3',7-dihydroxy-4',6-dimethoxyisoflavone; CHEMBL469824; MCULE-3526258136; LMPK12050113; Odoratin; SCHEMBL1248967 |
C19H20O6 |
344.36 |
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O |
|
TCMBANKIN061502 |
ACon1_001697 |
4-[(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]-2-methoxyphenol; 4-[(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]-2-methoxy-phenol; MEGxp0_000528 |
C27H34O11 |
534.55 |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC |
|
TCMBANKIN061508 |
methyleugenol |
29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene |
C11H14O2 |
178.23g/mol |
COC1=C(C=C(C=C1)CC=C)OC |
|
TCMBANKIN061521 |
Scutevulin |
80713-32-2; 2',5,7-Trihydroxy-8-methoxyflavone; SCHEMBL5162875; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromen-4-one; scutevulin; CHEMBL2235250; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-chromenone; 5,7,2'-trihydroxy-8-methoxyflavone; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxychromen-4-one; LMPK12111303; AC1NT0AX; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromone |
C16H12O6 |
300.26 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)O |
|
TCMBANKIN061526 |
Thymelol;daphnoretin |
ZINC00689683; TNP00178; Oprea1_038414; NCGC00142383-01; 2034-69-7; NCGC00017271-01; AIDS-071129; 7-hydroxy-3-(2-ketochromen-7-yl)oxy-6-methoxy-coumarin; C09216; 7-hydroxy-6-methoxy-3-[(2-oxo-7-chromenyl)oxy]-2-chromenone; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxy-chromen-2-one; Daphnoretin; TimTec1_001767; NSC 291852; MLS001048954; MLS000728531; ST024716; BRN 1299325; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-((2-oxo-2H-1-benzopyran-7-yl)oxy)-;7-hydroxyl-6-methoxy-3,7'-dicoumaryl ether; daphnoretin (9CI); 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-((2-oxo-2H-1-benzopyran-7-yl)oxy)-; SMR000156224; AIDS071129; MLS000574856; NSC291852; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one; COUMARIN, 7-HYDROXY-6-METHOXY-3,7'-OXYDI- |
C19H12O7 |
352.29 |
COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O |
|
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
|
TCMBANKIN061530 |
scopolin |
scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside |
C16H18O9 |
354.31 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN061545 |
Stevein |
6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one; stevein; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxycoumarin; Stevenin; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-coumarin; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2-chromenone; LMPK12100009; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2H-chromen-2-one; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-chromen-2-one; 36286-69-8; AC1NT0KP; stevenin |
C16H12O5 |
284.26 g/mol |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O |
|
TCMBANKIN061546 |
(+)-cyclo-olivil |
(+)-Cycloolivil;cycloolivil;(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxytetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol; ACon1_001444; MEGxp0_001281; (+)-cycloolivil; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol |
C20H24O7 |
376.4 g/mol |
COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061547 |
(+)-isolariciresinol;(2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-6-ol;isolariciresinol |
26568-14-9; (6R,7R,8S)-8-(4-hydroxy-3-methoxy-phenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; 47477-27-0; (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; (2R,3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-6-tetralinol; 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S-(1alpha,2beta,3alpha))-; 548-29-8; Arbo 3; 1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol; (2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol |
C20H24O6 |
360.4 |
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061550 |
Machiline |
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline; (1R)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; D-Coclaurine; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1R)-; AIDS226939; CHEBI:27482; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol; (+)-1(R)-Coclaurine; (R)-Coclaurine; (+)-Coclaurine; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-, (R)-; AIDS-226939; 2196-60-3; C06349; d-coclaurine |
C17H19NO3 |
285.34 g/mol |
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
|
TCMBANKIN061552 |
Isoscopoletin;6-Hydroxy-7-methoxy-2H-chromen-2-one;6-hydroxy-7-methoxy coumarin;6-hydroxy-7-methylcoumarin |
6-Hydroxy-7-methoxy-2-benzopyrone; isoscopoletin ; 6-hydroxy-7-methoxychromen-2-one; Esculetin 7-methyl ether; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 776-86-3; 6-hydroxy-7-methoxy-chromen-2-one; 7-Methyl esculetin; ST5331501; isoscopoletin; 6-hydroxy-7-methoxy-coumarin; NCGC00163577-01; AIDS026314; 6-Hydroxy-7-methoxycoumarin; 17795_FLUKA; AIDS-026314; EINECS 212-282-4; 7-Methoxyesculetin; 6-hydroxy-7-methoxy-2-chromenone |
C10H8O4 |
192.17g/mol |
COC1=C(C=C2C=CC(=O)OC2=C1)O |
|
TCMBANKIN061555 |
l-SPD |
(-)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; GTPL8370; 0UPX3E69W8; Q-100198; KB-211381; (13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol; 16562-13-3; l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine; stepholidine; AJ-80945; ST24036048; 6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI); FT-0628017; CS-1253; (S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol; DIB014; BDBM50378584; AK-60162; S-Stepholidine; UNII-0UPX3E69W8; D0L7OM; 3,9-Dimethoxy-13a-alpha-berbine-2,10-diol; 13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-; ANW-61130; A-Berbine-2,10-diol; X1178; BG01616132; AX8032195; 3,9-Dimethoxy-13a; ZINC22066528; CTK8B8727; L-(S)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; SCHEMBL10001966; W-5088; CHEMBL487387; (-)-Stepholidine; HY-17415; 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-; l-Stepholidine; MolPort-020-005-719; AC1OCEV4; TR-007130; l-SPD |
C19H21NO4 |
327.37 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O |
|
TCMBANKIN061560 |
3-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-1-propanone |
Propiophenone, 3,4'-dihydroxy-3'-methoxy-; 2196-18-1; 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-; 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one; 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one; ω-Hydroxypropioguaiacone, beta-Hydroxypropiovanillone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one |
C10H12O4 |
196.2 g/mol |
COC1=C(C=CC(=C1)C(=O)CCO)O |
|
TCMBANKIN061568 |
EUG |
4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL |
C9H10O2 |
150.17 |
COC1=C(C=CC(=C1)C=C)O |
|
TCMBANKIN061569 |
1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one |
(1E,4E)-1,5-bis-(4-Hidroxy-3-methoxyphenyl)-1,4-pentadien-3-one; 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pen-tadien-3-one |
C19H18O5 |
326.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061571 |
curcumin ii |
demethoxycurrcumin;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; p-hydroxycinnamoylferuloylmethane; demethoxy-curcumin; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; demethoxycurrcumin; AK544533; MFCD03427310; SCHEMBL13521973;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; demethoxy curcumin; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; AIDS110025; demethoxy-curcumin; (1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; 1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; AIDS-110025; AK544533; MFCD03427310; SCHEMBL13521973;demethoxycurcumin |
C20H18O5 |
338.35 |
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O |
|
TCMBANKIN061572 |
Calebin-A |
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester; InChI=1/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6; [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid 4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl ester; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester; 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-butenyl ester, (2E)-; [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 4''-(3'''-Methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl-3-(3'-methoxy-4'-hydroxyphenyl)propenoate; (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate |
C21H20O7 |
384.4 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061574 |
feruloyltyramine |
n- cis-feruloyltyramine; NP-001984; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; NCGC00169550-01; N-Trans-Feruloyl Tyramine; Moupinamide, >=95% (LC/MS-ELSD); 66648-43-9; Alfrutamide; trans-N-Feruloyltyramine; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; N-Feruloyltyramine; ZINC901461; MEGxp0_000693; Feruloyltyramine; Moupinamide; BRD-K98045316-001-01-0; MolPort-001-740-847; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; MCULE-4768764740; n-trans-feruloyl-tyramine; W1092; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; ACon1_001233; N-trans-Feruloyltyramine; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; CHEMBL206555; 65646-26-6; n- trans-feruloyltyramine; N-Transferuloyl Tyramine; MFCD17214811; AKOS025287596; CHEBI:17818; C02717; AC1NQX6M; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; CHEBI:17818; 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS113439; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; N-trans-Feruloyltyramine; C02717; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; N-Feruloyltyramine; 65646-26-6; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS-113439; 66648-43-9; Feruloyltyramine; moupinamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; ACon1_001233; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; MEGxp0_000693; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2Z)-; 80510-09-4; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; Moupinamide; n-trans-feruloyltyramine; N-E-feruloyl tyramine; n-cis-feruloyltyramine |
C18H19NO4 |
313.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O |
|
TCMBANKIN061577 |
FER |
Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid |
C10H10O4 |
194.18 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
|
TCMBANKIN061581 |
3-o-feruloylquinic,acid |
NCGC00168971-01; 3-O-Feruloylquinic acid; ACon1_000550; Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1R,3R,4S,5R)-; 3-O-(E)-Feruloylquinic acid; 3-Feruloylquinic acid; MEGxp0_000450; Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1R,3R,4S,5R)-; ZINC12153723; 87099-72-7; NP-001195; MolPort-001-740-625; BRD-K71199300-001-01-4; UNII-1DG2CT594J; (1R,3R,4S,5R)-1,3,4-TRIHYDROXY-5-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEXANE-1-CARBOXYLIC ACID; 1DG2CT594J; MCULE-1441791124; NCGC00168971-02_C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid |
C17H20O9 |
368.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O |
|
TCMBANKIN061585 |
Ferulaldehyde |
AIDS097066; AIDS-097066; ferulaldehyde ; 382051_ALDRICH; 4-Hydroxy-3-methoxycinnamaldehyde; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (E)-; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal; 3-(4-hydroxy-3-methoxy-phenyl)acrolein; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal; InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2; CHEBI:16547; C02666; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; 458-36-6; Coniferyl aldehyde; ferulaldehyde; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; Coniferaldehyde; coniferylaldehyde; coniferaldehyde; trans-coniferyl aldehyde; coniferyl aldehyde; ferulylaldehyde; (E)-ferulaldehyde |
C10H10O3 |
178.18 |
COC1=C(C=CC(=C1)C=CC=O)O |
|
TCMBANKIN061586 |
trans-coniferyl alcohol |
Coniferyl alcohol;Coniferol;Oprea1_201369; 27740_FLUKA; 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl), (E)-; 4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenol; 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol; 458-35-5; 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol; 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-; ST5330606; ZINC01532694; ZINC01532693; 4-(3-hydroxyprop-1-enyl)-2-methoxyphenol; C00590; CHEBI:17745; 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol; 223735_ALDRICH; Coniferyl alcohol; 4-(3-hydroxyprop-1-enyl)-2-methoxy-phenol; 4-Hydroxy-3-methoxycinnamyl alcohol |
C10H12O3 |
180.2 g/mol |
COC1=C(C=CC(=C1)C=CCO)O |
|
TCMBANKIN061587 |
coniferylbenzoate |
coniferyl benzoate;[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] benzoate; ST5449165; benzoic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester; benzoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate;Phenol, 4-(3-(benzoyloxy)-1-propenyl)-2-methoxy- |
C17H16O4 |
284.31 g/mol |
COC1=C(C=CC(=C1)C=CCOC(=O)C2=CC=CC=C2)O |
|
TCMBANKIN061589 |
chrysosplenelin;Chrysosplenetin |
5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; chrysosplenetin; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromone; Quercetagetin 3,6,7,3'-tetramethyl ether; 4H-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; Chrysosplenetin B; 603-56-5; 69234-29-3; C10030 |
C19H18O8 |
374.34 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
|
TCMBANKIN061590 |
isorhamnetin |
3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether |
C16H12O7 |
316.26 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061591 |
Quercetin der.; |
Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy- (8CI); Quercetin-3,3'-dimethyl ether; AIDS-071757; 4382-17-6; Quercetin-3,3-dimethyl ether; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-chromen-4-one; Quercetin-3,3'-dimethylether; Quercetin 3,3'-dimethyl ether; NSC 254669; 3,3'-Di-O-methylquercetin; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-chromone; 3,3'-Dimethylquercetin; 3,3'-Dimethoxyquercetin; NSC254669; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-chromenone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy-; AIDS071757; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy- (9CI); 4H-1-Benzoyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; 4',5,7-trihydroxy-3,3'-dimethoxyflavone; Quercetin-3,3'-dimethyl ether; NSC-254669; 4382-17-6; LMPK12112752; CHEMBL511363; 5,7,4'-Trihydroxy-3,3'-dimethoxyflavone; Flavone,5,7-trihydroxy-3,3'-dimethoxy-; Quercetin-3,3-dimethyl ether; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen; Quercetin-3,3'-dimethylether; Quercetin 3,3'-dimethyl ether; FMEHGPQTMOPUGM-UHFFFAOYSA-N; NSC 254669; 3,3'-Di-O-methylquercetin; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; UNII-J03N0KJ42I; SCHEMBL1252850; 3,3'-Dimethylquercetin; 3,3'-Dimethoxyquercetin; NSC254669; DTXSID60195941; 3,3'-Dimethylquercetol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; AC1NSUVV; Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy-; 3,3'-O-DIMETHYLQUERCETIN; J03N0KJ42I; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy- (9CI); 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-chromen-4-one #; 4H-1-Benzoyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-;quercetin 3,3′-dimethyl ether;3,3'-dimethylquercetin;quercetin- 3,3′- dimethylether |
C17H14O7 |
330.29 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O |
|
TCMBANKIN061595 |
Cirsilineol |
circilinol;5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4-chromenone; AIDS-134790; 4',5-Dihydroxy-3',6,7-trimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-; Cirsilineol (5,4'-dihydroxy-6,7,3'-trimethoxyflavone); 41365-32-6; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromone; C10032; AIDS134790; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one; cirsilineol; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; NSC633556 |
C18H16O7 |
344.32 |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O |
|
TCMBANKIN061596 |
chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone |
35.850895 |
C16H12O6 |
300.26 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN061598 |
iristectorigenin B |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one; 5,7-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone; 39012-01-6; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one;Iristectorigenin A |
C17H14O7 |
330.29 g/mol |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
|
TCMBANKIN061599 |
3'-Methoxydaidzein |
7,4'-dihydroxy-3'-methoxyisoflavone; 4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; CHEBI:65780; MolPort-039-063-534; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one; DTXSID30176328; 3/'-Methoxydaidzein; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromone; SCHEMBL2069826; ZINC5999157; CHEMBL450602; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; AC1NSY21; LMPK12050057; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; 3'-methoxydaidzein; AKOS025288163; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 4',7-dihydroxy-3'-methoxyisoflavone; BG01576586; 21913-98-4; Isoflavone, 4',7-dihydroxy-3'-methoxy-; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromen-4-one |
C16H12O5 |
284.26 g/mol |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN061603 |
Threo-dihydroxydehydrodiconiferyl alcohol;erythro-dihydroxydehydrodiconiferyl alcohol;erytho-dihydroxydehydrodiconiferyl alcohol |
Erytho-dihydroxydehydrodiconiferyl alcohol; AC1NSV83; 1-[(3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,2,3-triol; threo-dihydroxydehydrodiconiferyl alcohol;erythro-dihydroxydehydrodiconiferyl alcohol;erytho-dihydroxydehydrodiconiferyl alcohol |
C20H24O8 |
392.44 |
COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)OC)C(C(CO)O)O)CO)O |
|
TCMBANKIN061608 |
AIDS214634 |
(1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; (1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxy-phenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; AIDS-214634; 1H,3H-Furo[3,4-c]furan-3a(4H)-ol, dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-, (1S,3aS,4R,6aR)-;(+)-1-hydroxy-2,6-bis-epi-pinoresinol;(+)-1-hydroxylpinoresinol;(+)-1-hydroxylpinoresinol;8-hydroxypinoresinol |
C20H22O7 |
374.4 g/mol |
COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN061614 |
3'-methyleriodictyol |
EINECS 207-173-3; homoeriodictyol; NCGC00163565-01; C09756; AIDS058011; (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 446-71-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (2S)-; AIDS-058011; homoeriodictyol ; (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromanone; (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-4-one; Eriodictyol 3'-methyl ether; (2S)-5,7-;dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-one; (-)-Homoeriodictyol;3'-Methyl eriodictyol-7-O-beta-D-glucoside_qt; 3'-Methyl eriodictyol |
C16H14O6 |
302.28 |
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN061617 |
eugenol 4-Allyl-2-methoxyphenol |
|
C10H12O2 |
|
COC1=C(C=CC(=C1)CC=C)O |
|
TCMBANKIN061621 |
(-)-Olivir |
(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)-3-tetrahydrofuranol; (3S,4R,5S)-3-(4-hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-ol; AIDS224555; 3-Furanmethanol, 2-(4-hydroxy-3-methoxyphenyl)tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4S)-; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)tetrahydrofuran-3-ol; AIDS-224555 |
C26H34O12 |
538.54 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN061626 |
WIKSTROMOL |
wikstromol; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; (3S,4R)-3-hydroxy-3,4-bis(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 2(3H)-Furanone, dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-; Dibenzylbutyrolactone; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; NSC271296; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; WIKSTROEMIA FOETIDA B641599K027; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; B641599K027;(- )-nortrachelogenin |
C20H22O7 |
374.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN061627 |
matairesinol |
41328-88-5; AIDS030806; (-)-Matairesinol; Matairesinol; 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone; AIDS-030806; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; ARTIGENIN CONGENER; (3R,4R)-3,4-bis(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 580-72-3; DIBENZYLBUTYROLACTONE LIGNANOLIDE; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; 40043_FLUKA; MEGxp0_001689; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; Arbo 5; C10682; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; (alphaR,betaR)-alpha,beta-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone; ACon1_001075; 2(3H)-Furanone, dihydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-;(- )-matairesinol;MAX |
C20H22O6 |
358.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061628 |
Lariciresinol |
27003-73-2; NSC329247; lariciresinol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol; Lariciresinol, (+)-; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxy-benzyl)-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol; C10646; Arbo 4; (+)-lariciresinol |
C20H24O6 |
360.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061629 |
Gingerenone-C |
(E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one; (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one;gingerenone c |
C20H22O4 |
326.39 |
COC1=C(C=CC(=C1)CCC(=O)C=CCCC2=CC=C(C=C2)O)O |
|
TCMBANKIN061635 |
n-trans-feruloylmethoxytyramine |
Hmp-hmpep; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide; NSC723670; 83608-86-0; N-trans-feruloylmethoxytyramine; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acrylamide; 3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (E)-; (E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide |
C19H21NO5 |
343.4 g/mol |
COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061642 |
2-MOHYDROP |
2-methoxybenzene-1,4-diol; AIDS-220863; AIDS-220870; 2-Methoxyhydroquinone polymer; 176893_ALDRICH; 2,5-Dihydroxyanisol; 64992_FLUKA; ZINC00164619; 1,4-Benzenediol, 2-methoxy-; AIDS220870; AIDS220863; InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H; 824-46-4; EINECS 212-530-1; 2-Methoxyhydroquinone; o-Methoxyhydroquinone |
C7H8O3 |
140.14 |
COC1=C(C=CC(=C1)O)O |
|
TCMBANKIN061643 |
Ganhuangenin;Viscidulin III;5,7,2',5'-tetrahydroxy-8,6'-dimethoxy flavone |
2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromen-4-one; 92519-91-0; 4H-1-Benzopyran-4-one, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-; ST077153; 5,7,2',5'-Tetrahydroxy-8,6'-dimethoxy flavone; 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone; Sb 1; AIDS211317; AIDS-211317; 2',5,5',7-Tetrahydroxy-6',8-dimethoxyflavone; 2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromone; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4-chromenone |
C17H14O8 |
346.29g/mol |
COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O |
|
TCMBANKIN061651 |
skullcapflavone i |
5,2'-Dihydroxy-7,8-dimethoxyflavone; Ambap41060-16-6; ZINC2392262; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-; MolPort-035-706-534; SKULLCAPFLAVONEI; 2',5-Dihydroxy-7,8-dimethoxyflavone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one; 41060-16-6; W2788; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromen-4-one; LMPK12111304; AKOS032961992; Skullcapflavone I; panicolin; 8P86A8Q1G0; Skullcapflavone I, analytical standard; AC1NSZFT; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4-chromenone; UNII-8P86A8Q1G0; SCHEMBL6069761;Panicolin |
C17H14O6 |
314.29 g/mol |
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC |
|
TCMBANKIN061655 |
Berlambine |
4-27-00-06654 (Beilstein Handbook Reference); BRN 0339209; Prestwick_92; 8-Oxyberberine; Oxyberberine; NSC93138; 8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-; 549-21-3; Ketoberberine; NSC 93138; 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone; Oxyberberin |
C20H17NO5 |
351.35 |
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC |
|
TCMBANKIN061661 |
Swertiaperennin |
1,8-Dihydroxy-2,6-dimethoxyxanthen-9-one; 1,8-dihydroxy-2,6-dimethoxy-xanthen-9-one; Methylswertianin; 2-O-Methylswertianin; 1,8-dihydroxy-2,6-dimethoxy-xanthone; C10083; 1,8-dihydroxy-2,6-dimethoxy-9-xanthenone; 1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one; 9H-Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy- (9CI); BRN 1351740; Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy-; 22172-17-4; 1,8-Dihydroxy-2,6-dimethoxyxanthone |
C15H12O6 |
288.25 g/mol |
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O |
|
TCMBANKIN061662 |
Patuletin |
519-96-0; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-benzopyrone; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-chromenone; patuletin; patuletin ; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-chromen-4-one; Quercetagetin 6-methyl ether; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxychromen-4-one; EINECS 208-280-8; C10118; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-chromone; 6-methoxyquercetin |
C16H12O8 |
332.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061663 |
axillarin |
3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; axillarin ; DTXSID80199840; NCGC00168986-01; C10021; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-; CHEBI:2941; DMQT; Axillarin; 3',4',5,7-tetrahydroxy-3,6-dimethoxy-flavone; MCULE-1507651933; MEGxp0_000118; CHEMBL487810; AC1NQYPJ; 5188-73-8; 3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; BDBM50242286; 3,6-Dimethoxyquercetagetin; ACon1_000535; SCHEMBL1155670; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one; Quercetagetin 3,6-dimethyl ether; NCGC00168986-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; NP-000321; LMPK12112990; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one;ACon1_000535; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-chromone; 5188-73-8; 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-; Quercetagetin 3,6-dimethyl ether; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4-chromenone; Axillarin; C10021; 3,6-Dimethoxyquercetagetin; MEGxp0_000118; DMQT |
C17H14O8 |
346.3 g/mol |
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061664 |
eupafolin |
6-methoxy-5,7,3',4'-tetrahydroxyflavone; eupafolin;Nepetin;6-methoxyluteolin;NSC122416; Flavone, 3',4',5,7-tetrahydroxy-6-methoxy-; nepetin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one; AIDS027676; MLS000728561; NSC 122416; ST5309235; SMR000440634; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy- (9CI); AIDS-027676; Flavone, 3',4',5,7-tetrahydroxy-6-methoxy- (8CI); 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromone; 5,7,3',4'-Tetrahydroxy-6-methoxyflavone; EUPAFOLIN; MLS000877025; MEGxp0_000458; 6-Methoxyluteolin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-chromenone; ACon1_000516; 520-11-6; ZINC01081536; NCGC00163594-01; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one |
C16H12O7 |
316.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061665 |
hispidulin |
447H887; 5,7,4'-trihydroxy-6-methoxyflavone; Dinatin; 6-methoxyapigenin; LS-173226; CTK8G0189; NSC 122415; BDBM50049395; UNII-N7F61604C2; B6959; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; hispidulin ; ACon1_000933; MLS000728540; NP-001963; ZINC5732241; 4',7-Trihydroxy-6-methoxyflavone; MCULE-3882973229; SCHEMBL514926; HMS3344G13; C10058; 4?,5,7-Trihydroxy-6-methoxyflavone; PubChem SID: 26725244; W1618; MolPort-001-740-838; NSC122415; KS-00001FKN; MEGxp0_000683; Hispidulin; Oprea1_873387; cid_5281628; methoxyapigenin; BRD-K72066874-001-01-0; Flavone,5,7-trihydroxy-6-methoxy-; TCMDC-123942; N7F61604C2; FT-0697687; 1447-88-7; Scutellarein 6-methyl ether; CCRIS 8484; HMS2223A03; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; 6-methylscutellarein; HY-N1950; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one #; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one; Flavone, 4',5,7-trihydroxy-6-methoxy-; SMR000445653; AN-49210; 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one; hispidulin(dinatin); AKOS004110694; NCGC00167728-02; 6-methoxy apigenin; 5,7,4''-Trihydroxy-6-methoxyflavone; HUL; 4CN-1206; DTXSID30162786; NCI60_000530; CS-6502; IHFBPDAQLQOCBX-UHFFFAOYSA-N; ST024778; 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-; CHEBI:75902; AC1NQYRM; BG01592767; C-56393; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; NCGC00167728-01; CHEMBL293776; NSC-122415; NCGC00169216-01; Q-100165; 6-O-Methylapigenin; 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; LMPK12111159; 4',5,7-Trihydroxy-6-methoxyflavone; Dinatin; NCI60_000530; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; AIDS126680; NSC122415; MEGxp0_000683; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-chromenone; Hispidulin; ST024778; Oprea1_873387; 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-; NSC 122415; ZINC00113457; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one; Flavone, 4',5,7-trihydroxy-6-methoxy-; SMR000445653; AIDS-126680; ACon1_000933; 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; MLS000728540; 6-O-Methylapigenin; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromone; 1447-88-7; C10058; Scutellarein 6-methyl ether; 4',5,7-Trihydroxy-6-methoxyflavone; 6-methoxyapigenin |
C16H12O6 |
300.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061668 |
dihydrooroxylin A |
NCGC00180735-02!5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; (S)-5,7-Dihydroxy-6-methoxy-2-phenylchroman-4-one; SMR000440557; CHEBI:67376; 5,7-Dihydroxy-6-methoxyflavanone; AC1NSUL5; NP-001206; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (S)-; HMS2268B15; MCULE-9660679251; Flavanone, 5,7-dihydroxy-6-methoxy-; Dihydrooroxylin; MolPort-001-740-631; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one; SCHEMBL12067042; LMPK12140611; QUAPPCXFYKSDSV-UHFFFAOYSA-N; MEGxp0_000455; dihydrooroxylin a; BRD-A37403959-001-01-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (2S)-; NCGC00180735-01; MLS000876753; Dihydrooroxylin A; CHEMBL1517942; ACon1_000257; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; 5-hydroxy-6-methoxyflavanone-7-O-α-D-galactopyranoside_qt; DIHYDROOROXYLIN |
C16H14O5 |
286.28 |
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O |
|
TCMBANKIN061669 |
(-)-discretamine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502; CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01; scoulerine; (S)-Scoulerine |
C19H21NO4 |
327.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
TCMBANKIN061670 |
Isocorypalmine |
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol; 483-34-1; 5,8,13,13a-Tetrahydrocolumbamine; AJ-84169; 20504-94-3; SCHEMBL16035972; (-)-Isocorypalmine; BDBM50429057; UNII-YHT108XMMM component KDFKJOFJHSVROC-INIZCTEOSA-N; 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (S)- (9CI); ZINC30725153; Corydalis L; l-Tetrahydrocolumbamine; l-Isocorypalmine; (S)-3,9,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol; 6611AB; AX8235065; ISOCORYPALMINE, (-)-; FT-0670441; AKOS016007096; O10-Methylstepholidine; Tetrahydro-columbamine; C04118; CHEMBL2334891; 5, 8, 13, 13a-tetrahydrocolumbamine; CHEBI:17772; CTK8C0461; HY-N0927; (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol; Tetrahydrocolumbamine; (S)-THC; ANW-64713; ST24036047; 13a-alpha-Berbin-2-ol, 3,9,10-trimethoxy- (8CI); 2-O-Desmethyl-L-THP; 1356-03-2; UNII-MX470OL19D; isocorypalmine; AK103526; S-TETRAHYDROCOLUMBAMINE; ACM483341; MX470OL19D; 483-33-0; MolPort-023-332-930; (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol; TC-153458; (13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol; (S)-Tetrahydrocolumbamine; AC1L98XN; KB-211380; Columbamine, tetrahydro- (7CI); tetrahydrocolumbamine |
C20H23NO4 |
341.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
|
TCMBANKIN061671 |
dl-tetrahydropalmatine |
dl-tetrahydropalmatine;AIDS002241; 84-38-8; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-; CHEBI:16563; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-; (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; AIDS-002241; C02890; Hyndarine; (-)-Corydalis; 4880-82-4 (HCL); NSC36363 (HCL); InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s; 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine; 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline; BB_NC-1018; Gindarine; Tetrahydropalmatine (6CI); Berbine, 2,3,9,10-tetramethoxy- (8CI); Tetrahydropalmatine; l-Tetrahydropalmatine; (S)-Tetrahydropalmatine; Caseanine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-; Rotundine; (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline; 483-14-7; (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-; (-)-Tetrahydropalmatine;2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride; 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline hydrochloride; AKOS024399264; MolPort-002-321-247; Berbine,3,9,10-tetramethoxy-, hydrochloride; NSC-132057; NSC-209411; 2,3,9,10-Tetramethoxyberbine hydrochloride; 6024-85-7; CHEMBL1412574; NSC132058; Palmatine, hydrochloride, (.+-.)-; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (R)-; Tetrahydropalmatine hydrochloride; 024T857; C-55689; MCULE-7006385138; Palmatine, hydrochloride, (+)-; A832652; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride; MLS000029596; Ambotz6024-85-7; 2506-20-9; FT-0698667; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; WLN: T D6 B666 KN&TT&J GO1 HO1 PO1 QO1 &GH; AC1O7ERI; NSC132057; NSC-132058; MLS002535962; AK310574; 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride; AC-8031; 13a.beta.-Berbine,3,9,10-tetramethoxy-, hydrochloride; Berbine,3,9,10-tetramethoxy-, hydrochloride, (+)-; NSC209411; Berbine,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6000000-azatetraphene hydrochloride; SCHEMBL3502167; AC1Q3C4E; D-Tetrahydropalmatine hydrochloride; Tetrahydropalmatine, HCl; SMR000008833;(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;Hyndarin;tetrahydropalmatine;L-tetrahydropalmatine;STOCK1N-14407 |
C21H25NO4 |
355.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
|
TCMBANKIN061673 |
jatrorrizine |
Jatrorrhizine, iodide; 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide; iatrorrhizine; JATRORRHIZINE IODIDE; jatrorhizinc; CHEMBL1990190; NSC-93137; AC1NURFL; Q-100433; Ambap3621-38-3; 7,8,13,13alpha-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium; jatrorrhizine; 1168-00-9; KB-78657; NSC93137; jatrorrhizine; jatrorrhizine |
C20H20NO4+ |
338.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
|
TCMBANKIN061674 |
palmatin;palmatine |
V1557; 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo(a,g)quinolizinium hydroxide; Calystigine; Palmatine chloride; palmatine ; 6771L5MN8S; UNII-6771L5MN8S; MolPort-039-138-801; 3486-67-7 (Parent); Palmatine hydroxide; 131-04-4; BG01657711; AC1L43OM; Palmatinium hydroxide; LS-61262; DTXSID60156830; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxyberbinium hydroxide; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, hydroxide; 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide; AS-17724 |
C21H22NO4+ |
352.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
|
TCMBANKIN061689 |
Uvadex |
DSSTox_GSID_20830; Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; NC00652; CC-30277; 9-Methoxy-7H-furo[3,2-g]chromen-7-one #; 9-Methoxyfuro(3,2-g)chromen-7-one; HMS2091D20; 4CN-0934; AK111265; 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE; 9-methoxyfuro[3,2-g]chromen-7-one; Vitpso; NCGC00060938-02; U4VJ29L7BQ; SPBio_002557; 8-MOP; 8-Methoxy-4',6,7-furocoumarin; SDCCGMLS-0042377.P002; CPD000071170; Spectrum2_001052; s1952; NCGC00060938-03; Delta Brand of Methoxsalen; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Methoxsalen, United States Pharmacopeia (USP) Reference Standard; Oxsoralen lotion; Oxsoralen; Dltasoralen; 8-Methoxy-6,7-furanocoumarin; Methoxsalen Canderm Brand; HMS2269P03; DSSTox_CID_830; NINDS_000763; KBioSS_001503; AB2000388; Methoxaten; EINECS 206-066-9; Meladinina; C01864; Methoxa-Dome; Oxoralen; Psoralen-mop; Xanthotoxin, analytical standard; NCGC00016418-04; CAS-298-81-7; KBio3_001497; AJ-39565; AN-12178; Methoxsalen [BAN:JAN]; NCGC00060938-05; 8-Methoxypsoralen, analytical standard; Dermatech Brand of Methoxsalen; 9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00060938-04; NCGC00060938-06; CM-131; 8-Methoxyfuranocoumarin; Xanthotoxine; 12692-94-3; Prestwick0_000479; 8-Methoxy-2',6,7-furocoumarin; 5-Demethoxyisoimpinellin; Methoxy-8-psoralen; SMR000071170; SCHEMBL19168; MEGxp0_000095; LS-68; HSDB 2505; CS-1983; SC-13812; 9-methoxyfurano[3,2-g]chromen-2-one; NCGC00016418-03; ZINC2548959; Dermox; Psoralon-MOP; Canderm Brand of Methoxsalen; 8-methoxy-4'',5'':6,7-furocoumarin; 8MOP; Meladinin (VAN); 298M817; Oprea1_166319; NCGC00016418-14; OXSORALEN (TN); Meladinine; Oxsoralen Ultra; 7H-Furo[3, 9-methoxy-; Prestwick1_000479; AC-4259; BG00605120; Tox21_110432; BG0479; HMS3655B05; WLN: T C566 DO LVOJ BO1; Boehringer Ingelheim Brand of Methoxsalen; Uvadex; Puvamet; Sanofi Synthelabo Brand of Methoxsalen; Prestwick3_000479; NSC757114; Meladoxen; NCGC00016418-09; 5-19-06-00015 (Beilstein Handbook Reference); SAM002548974; 8-methoxyfurocoumarins; 8-methoxyfuranocoumarins; SR-01000629727-4; Oxsoralen-ultra; Q039; an 8-methoxyfurocoumarin; 8MO; methoxsalen; MFCD00005009; NCGC00178871-03; BSPBio_000618; Tox21_110432_1; MolPort-000-696-480; NCI-C55903; DSSTox_RID_75816; NCGC00016418-02; AB00052042_16; BRN 0196453; Xanthotoxin;Metoxaleno; Dltasoralen;Meladinine;Uvadex,;Oxsoralen; NCGC00016418-07; Zanthotoxin; BRD-K63430059-001-06-5; BDBM50041234; KBio2_004071; 8-METHOXYPSORALEN + UVA (SEE ALSO C55903); Methoxsalen Mex-America Brand; DB00553; Metoxaleno; 8-methoxy-[furano-3''.2'':6.7-coumarin]; NCGC00016418-10; 9-Methoxy-7H-furo[3,2- g][1]benzopyran-7-one; Spectrum_001023; Methoxa Dome; Methoxsalen (JP17/USP); 8-Methoxypsoralene; Methoxalen; EN300-52504; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; CHEBI:18358; HMS502G05; GP5578; I06-0695; MLS000062633; Tox21_302816; D08SKH; BC4157549; ICN Brand 1 of Methoxsalen; AB00052042-14; 8-methoxypsoralen; Proralone-mop; X0009; AC1L1HFY; Oxypsoralen; Methoxsalen Sanofi-Synthelabo Brand; FT-0602101; Q-100381; 9-Methoxypsoralen; ST24045871; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; Pharmakon1600-01500400; Sanofi-Synthelabo Brand of Methoxsalen; NCGC00016418-08; QXKHYNVANLEOEG-UHFFFAOYSA-N; FT-0082222; BRD-K63430059-001-03-2; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; xanthotoxin ; BPBio1_000680; Methoxsalen Delta Brand; Mex-America Brand of Methoxsalen; AX8020056; C-11618; KS-00000J91; STOCK1N-03091; NCGC00256435-01; 9-Methoxy-7H-furo[3,2-g]chromen-7-one; Deltapsoralen; Oxsoralen Ul tra; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; IDI1_000763; D00139; Spectrum4_000052; SR-01000629727-2; Deltasoralen; CCRIS 2083; ICN Brand 3 of Methoxsalen; Meloxine; Prestwick2_000479; JC10026; J10204; 7-Furocoumarin; CHEMBL416; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; 8-MOP ; Methoxsalen; KBio2_001503; NSC-757114; NSC45923; Ultramop; Methoxsalen Chinoin Brand; AM84906; 8-Methoxy-4',5':6,7-furocoumarin; Ammodin; Jsp005650; MCULE-2500932325; 8-MP; Methoxsalen [USP:BAN:JAN]; O-methylxanthotoxol; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; DS-5159; UVADEX (TN); Methoxsalen, 8-; Methoxsalene; STK735539; 9-metho xy-7H-furo(3,2-g)benzopyran-7-one; Methoxsalen Dermatech Brand; 8-Methoxy-2',3',6,7-furocoumarin; NCGC00016418-05; NCGC00259316-01; DTXSID8020830; ACon1_000174; DB Brand of Methoxsalen; Tox21_201767; N1305; NCGC00178871-01; Ultra Mop; Puvalen; Methoxsalen (Oxsoralen); DivK1c_000763; Chinoin Brand of Methoxsalen; NSC-45923; Ammoidin; 8-Methoxypsoralen; NCGC00178871-02; SAM002564221; Meladinin; SR-01000629727; SBB005950; 8-Methoxy(furano-3'.2':6.7-coumarin); NCI60_004085; SBI-0051443.P003; SPBio_001004; NCGC00016418-12; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; XANTHOTOXIN; 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one; ICN Brand 2 of Methoxsalen; 8-Methoxy; SPECTRUM1500400; 8 Methoxypsoralen; HMS2096O20; HY-30151; 298-81-7; HMS3259L13; Spectrum5_001891; AKOS000277012; 8-methoxy-2'',3'',6,7-furocoumarin; AB00052042_17; 7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-; UNII-U4VJ29L7BQ; NCGC00016418-11; MLS002303011; Z1258578369; AB00052042-15; Spectrum3_000499; Galderma Brand of Methoxsalen; BC204608; KBio2_006639; NCGC00016418-01; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; NCGC00016418-06; HMS1920N05; HMS1569O20; New-Meladinin; API0008254; Mex America Brand of Methoxsalen; 8-Methoxy-[furano-3'.2':6.7-coumarin]; NCGC00016418-15; KBio1_000763; BG01521511; A1783/0075596; CCG-36366; ST041029; Ultramop Lotion;8-methoxypsoralen;Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; 9-Methoxyfuro(3,2-g)chromen-7-one; Methoxsalen; NCGC00060938-02; 9-methoxyfuro[3,2-g]chromen-7-one; SDCCGMLS-0042377.P002; SPBio_002557; 8-MOP; Spectrum2_001052; NCGC00060938-03; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Oxsoralen; 8-MOP Capsules; NINDS_000763; KBioSS_001503; EINECS 206-066-9; C01864; Methoxa-Dome; Oxoralen; CAS-298-81-7; KBio3_001497; Methoxsalen [BAN:JAN]; NCGC00060938-06; NCGC00060938-04; DRG-0088; 8-Methoxyfuranocoumarin; Prestwick0_000479; 12692-94-3; Xanthotoxine; Methoxy-8-psoralen; SMR000071170; MEGxp0_000095; HSDB 2505; Psoralon-MOP; Meladinin (VAN); Oprea1_166319; Meladinine; Oxsoralen Ultra; Prestwick1_000479; WLN: T C566 DO LVOJ BO1; Prestwick3_000479; Meladoxen; 5-19-06-00015 (Beilstein Handbook Reference); AIDS001590; 8MO; BSPBio_000618; NCI-C55903; BRN 0196453; KBio2_004071; ZINC00381730; Spectrum_001023; 8-Methoxypsoralene; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; Methoxalen; MLS000062633; Oxypsoralen; 9-Methoxypsoralen; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; 9-methoxy-7H-furo[3,2-g]chromen-7-one; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; BPBio1_000680; 9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; IDI1_000763; D00139; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; Spectrum4_000052; CCRIS 2083; Meloxine; Prestwick2_000479; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; KBio2_001503; NSC45923; Ammodin; 8-MP; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; Methoxsalen, 8-; 8-Methoxy-2',3',6,7-furocoumarin; AIDS-001590; ACon1_000174; Puvalen; Oxsoralen (TN); DivK1c_000763; Ammoidin; 8-Methoxypsoralen; Meladinin; NCI60_004085; 8-Methoxy(furano-3'.2':6.7-coumarin); SPBio_001004; Oxsoralen-Ultra; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; SPECTRUM1500400; 298-81-7; Spectrum5_001891; Xanthotoxin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-; Spectrum3_000499; 9-methoxy-7-furo[3,2-g]chromenone; NCGC00016418-01; KBio2_006639; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; M3501_SIAL; New-Meladinin; Oxsoralen Lotion; 10-32-2; 8-Methoxy-[furano-3'.2':6.7-coumarin]; A1783/0075596; KBio1_000763; |
C12H8O4 |
216.19 |
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
|
TCMBANKIN061704 |
isosativan |
FWAWTPASGRNXTO-UHFFFAOYSA-N; 3722-59-6; 2'-hydroxy-4',7-dimethoxyisoflavan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol #; Phenol, 2-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxy-; LMPK12080030; 2'-Isoflavanol, 4',7-dimethoxy-; AC1LBZDQ; CTK8I4645; 2'-Hydroxy-7,4'-dimethoxyisoflavan; 60102-29-6; 2-(3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxyphenol; Isosativan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol; 5-methoxy-2-(7-methoxychroman-3-yl)phenol |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O |
|
TCMBANKIN061705 |
(3r)-vestitol |
(-)-Vestitone; (3R)-vestitone; 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one; DTXSID60331403; SCHEMBL213646; AC1L973Q; 158112-50-6; CHEBI:16786; (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; 7,2'-Dihydroxy-4'-methoxyisoflavanone; R-Vestitone; vestitone; C00786; (3R)-vestitol |
C16H14O5 |
286.28 g/mol |
COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN061711 |
Gazarin |
2,4,5-trimethoxybenzaldehyde;PubChem8263; K-8969; NSC-89299; MLS002695891; UNII-NDU8J2Q00D; NSC 89299; NCGC00091253-01; MFCD00003312; Asaraldehyde (Asaronaldehyde); SDCCGMLS-0066425.P001; ST2415708; 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI; KBio3_001139; 14374-62-0; AN-12166; DB-051236; KB-85563; 2,4,5-Trimethoxy-benzaldehyd; SBB040214; ACMC-1ADV9; NCGC00091253-03; 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%; NSC89299; Spectrum5_000618; HMS3656M12; CCG-38657; DSSTox_CID_2217; MLS006011864; BCP9000230; AK-81441; STK802187; LABOTEST-BB LT00926884; NCGC00091253-07; TIMTEC-BB SBB040214; TRA0030137; CHEMBL1164301; ZINC336939; NCGC00091253-02; AP-065/41884113; TL806230; AKOS BBS-00003175; LS-1267; BG01511388; CS-6035; 3,6-Trimethoxybenzaldehyde; Asaraldehyde; Spectrum_000818; AKOS000119399; F2190-0582; SR-05000002433; SCHEMBL333451; 3,4, 6-Trimethoxybenzaldehyde; DSSTox_GSID_22217; AB1004251; 2,5-Trimethoxybenzaldehyde; ANW-30143; ZB010841; 4CA-0107; BRD-K88219015-001-02-5; Azarylaldehyde; NCGC00091253-05; DSSTox_RID_76523; BBL011033; SMR000112148; LABOTEST-BB LT03381259; Spectrum3_000170; HMS1922P08; AC-4247; KSC236C5N; BSPBio_001639; Spectrum2_000386; DTXSID1022217; CHEBI:113543; HY-100580; NCI-C61632; BG00603133; MLS002473312; 3,4,6-Trimethoxybenzaldehyde; LABOTEST-BB LT03330935; BCP0726000304; ST093686; CTK1D6156; Asarylaldehyde, analytical standard; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; CAS-4460-86-0; s2531; I01-1219; RTR-017129; PS-6109; 2,4,5-Trimethoxybenzaldheyde; NDU8J2Q00D; AJ-19817; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; 2,4,5-TRIMETHOXYBENZALDEHYDE; KS-00000KKZ; SR-05000002433-1; KBioGR_002238; HMS2268O16; AS02818; LS10199; TR-017129; AC1L2GG7; Gazarin; Acrolein(Propenal); IAJBQAYHSQIQRE-UHFFFAOYSA-N; NCGC00091253-06; RP25437; Tox21_400070; Asaronaldehyde; FT-0609813; Asaraldehyde - Asaronaldehyde; MCULE-7174618286; Spectrum4_001759; AC1Q490G; KBioSS_001298; PARAGOS 530447; KBio2_006434; BCPP000436; MolPort-000-871-193; 60T860; 2,4,5-trimethoxy-benzaldehyde; EINECS 224-713-3; Asarylaldehyde, NSC 89299;4460-86-0; SPBio_000571; 4460-86-0; SC-04555; KBio2_003866; CCRIS 1296; HSDB 4502; Q-100162; 2,4,5-Trimethoxy benzaldehyde; A26620; 4-08-00-02715 (Beilstein Handbook Reference); BB_SC-1446; NCGC00091253-04; AI3-36671; 2,4,5-Trimethoxybenzaldehyde, 98%; Asarylaldehyde;NCI-C61632; ZINC00336939; 3,4,6-Trimethoxybenzaldehyde; Asaraldehyde; Asaronaldehyde; Spectrum_000818; NSC 89299; NCGC00091253-01; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; SDCCGMLS-0066425.P001; 92133_FLUKA; KBio3_001139; 14374-62-0; Spectrum4_001759; KBioSS_001298; KBio2_006434; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; Azarylaldehyde; 2,4,5-TRIMETHOXYBENZALDEHYDE; NCGC00091253-03; KBioGR_002238; EINECS 224-713-3; Spectrum5_000618; NSC89299; SPBio_000571; AP-065/41884113; 4460-86-0; Spectrum3_000170; KBio2_003866; CCRIS 1296; HSDB 4502; 2,4,5-Trimethoxy benzaldehyde; 4-08-00-02715 (Beilstein Handbook Reference); NCGC00091253-02; BSPBio_001639; ST5213363; 132152_ALDRICH; AI3-36671; Spectrum2_000386;;Asarylaldehyde;asaronaldehyde;2,4,5-Trimethoxybenzaldehyde |
C10H12O4 |
196.2 |
COC1=CC(=C(C=C1C=O)OC)OC |
|
TCMBANKIN061718 |
Quercetin-7-Methyl ether |
rhamnetin;Spectrum2_000642; 7-O-Methylquercetin; KBio2_004233; CCRIS 3792; 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; BSPBio_003125; Spectrum3_001343; Spectrum5_000464; AIDS-003059; 7-Methoxyquercetin; C.I. 75690; 90-19-7; BRN 0047741; Quercetin 7-methyl ether; 5-18-05-00495 (Beilstein Handbook Reference); C10176; NCGC00095624-01; KBio1_001503; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-chromenone; SPECTRUM310031; Flavonoid;.beta.-Rhamnocitrin; KBio3_002345; NCGC00095624-02; NSC 19802; NCI60_001648; KBioSS_001665; SPBio_000643; AIDS003059; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one; KBio2_001665; Rhamnetin; FLAVONE, 7-METHOXY-3,3',4',5-TETRAHYDROXY-; DivK1c_006559; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromen-4-one; Flavone, 3,3',4',5-tetrahydroxy-7-methoxy- (8CI); 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy- (9CI); 17799_FLUKA; NSC19802; KBio2_006801; .beta.-Rhamnocitrin; 7-Methylquercetin; SDCCGMLS-0066624.P001; Flavone, 3,3',4',5-tetrahydroxy-7-methoxy-; beta-Rhamnocitrin; Spectrum4_001872; ST5331696; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromone; KBioGR_002367; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-; EINECS 201-974-1; Spectrum_001185; SpecPlus_000463; 3,3',4',5-Tetrahydroxy-7-methoxyflavone |
C16H12O7 |
316.26 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061719 |
rhamnocitrin |
3,4',5-Trihydroxy-7-methoxyflavone; LMPK12112589; AKOS015896728; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one; 7-Methylkaempferol; 3,5-Dihydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one; AC1NT015; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-; CHEBI:80897; MolPort-000-165-388; CHEMBL442289; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; CTK5A6119; W1644; 569-92-6; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; SCHEMBL1759429; 20243-59-8; BG01592770; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; ZINC5998754; I07-0174; Rhamnocitrin; C17059; 4CN-1445; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; ZINC02549348; hydroxy-genkwanin; AKOS015896728 |
C16H12O6 |
300.26 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061723 |
Jaranol |
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; Flavone, 4',5-dihydroxy-3,7-dimethoxy-; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4-chromenone; AIDS039056; ACon1_000321; MEGxp0_000177; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one; 3301-49-3; Kumatakenin; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromone; AIDS-039056; Flavone, 4',5-dihydroxy-3,7-dimethoxy-; BJBUTJQYZDYRMJ-UHFFFAOYSA-N; UNII-5FAQ11412T; Jaranol; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one; SCHEMBL3351483; ZINC5732364; NCGC00169188-01; ACon1_000321; MolPort-001-740-355; 4CN-1330; DTXSID90186645; AC1NSXDF; CHEMBL349724; AKOS032948397; MEGxp0_000177; Kumatakenin; 3301-49-3; 5,4'-dihydroxy-3,7-dimethoxyflavone; Kumatakillin; Kaempferol 3,7-dimethyl ether; 5FAQ11412T; 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; 4',5-Dihydroxy-3,7-dimethoxyflavone; LMPK12112690; 3,7-Di-O-methyl kaempferol; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one; kumatakenin |
C17H14O6 |
314.29 |
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061728 |
genkwanin |
AIDS003028; ZINC5732375; 4',5-Dihydroxy-7-methoxyflavone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one; 5,4'-Dihydroxy-7-methoxyflavone; 5K3I5D6B2B; Genkwanin, >=98% (HPLC); KBioSS_000810; KBio2_003378; Henquanin; KBioGR_002193; ZINC00058122; Spectrum4_001667; Puddumetin; W1623; 4,5-Dihydroxy-7-methoxyflavone; NCGC00178332-01; DTXSID80195908; TC-169190; KBio2_005946; I07-0230; AKOS015896775; C10046; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; N2092; 4CN-1073; 437-64-9; C-57765; 4'',5-dihydroxy-7-methoxyflavone; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; KBio2_000810; UNII-5K3I5D6B2B; BDBM50187658; 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one; 7-Methylapigenin; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SCHEMBL866123; Spectrum2_001355; Genkwanin; Gengkwanin; AIDS-003028; Spectrum_000330; 4'',5-dihydroxy-7-methoxy flavone; MolPort-003-665-822; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SPBio_001569; 7'O-methyl-apigenin; 7-Methoxyapigenin; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; MFCD00017452; JPMYFOBNRRGFNO-UHFFFAOYSA-N; ST057642; Gonkwanin; CCG-38838; BRD-K29160894-001-02-9; MCULE-4718928065; Apigenin 7-O-Methyl Ether; BSPBio_003042; Apigenin-7-methylether; KBio3_002262; KBio1_001875; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one #; DivK1c_006931; 7-O-Methylapigenin; Spectrum3_001401; FT-0617186; AC1NQYQP; Apigenin 7-methyl ether; LMPK12111018; Spectrum5_000573; CHEBI:75718; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one; SpecPlus_000835; 4',5-dihydroxy-7-methoxy flavone; ACMC-20amrz; DB-051163; 4',5-Dihydroxy-7-methoxyflavone, AldrichCPR; Flavone, 4',5-dihydroxy-7-methoxy-; Genkwanin, analytical standard; CHEMBL210635; apigenin-7-methyl ether; CTK4I7720; 5,4′-dihydroxy-7-methoxyflavone; |
C16H12O5 |
284.26 g/mol |
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061731 |
prunetin |
KBio2_006643; CHEBI:8600; Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI); MFCD00016951; Padmakastein; CHEMBL491174; BIDD:ER0153; LS-39694; ST096009; KBio2_001507; D0A9RM; Spectrum4_001723; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one; CTK8G2643; SC-66909; Oprea1_083784; BRD-K57546357-001-01-6; KBio1_001533; GTPL6919; FT-0708556; KBioGR_002106; AKOS016010281; 4 inverted exclamation marka,5-Dihydroxy-7-methoxyisoflavone; UNII-1TG4H5H11J; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Prunetin (6CI); Prunusetin; SCHEMBL73420; 552P590; BSPBio_003044; Spectrum5_000486; ZINC18847044; AJ-70677; 5-18-04-00595 (Beilstein Handbook Reference); MolPort-003-939-175; C-57556; KBio3_002264; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; Y0172; 4',5-dihydroxy-7-methoxygenistein; AK114738; 5,4'-dihydroxy-7-methoxy-isoflavone; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromone; 4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-; 552-59-0; Spectrum_001027; 7-O-Methyl genistein; AN-45849; 82415_FLUKA; LMPK12050353; KBioSS_001507; EINECS 209-018-5; NCGC00178331-01; 4CN-1042; ST50320097; SMP1_000150; BDBM50359990; AC1NQZ4E; BRN 0292155; 5,4'-dihydroxy-7-methoxyisoflavone; Prunetin, >=98.0% (TLC); ZINC00057630; KQMVAGISDHMXJJ-UHFFFAOYSA-N; C10521; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one; Prunetin; Spectrum3_001402; SpecPlus_000493; 4',5-dihydroxy-7-methoxyisoflavone; DivK1c_006589; KBio2_004075; prunetin ; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9CI; ST5320097; 1TG4H5H11J; CCRIS 8951; AX8092606; 7-O-methyl-genistein; DTXSID3022530; Padmakastein |
C16H12O5 |
284.26 g/mol |
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061733 |
Gentiacaulein |
gentiacauleine;NSC661743; BDBM174835; 2,8-Dihydroxy-1,6-dimethoxyxanthone; AIDS142918; NP-008544; 2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one; 1,7-dihydroxy-3,8-dimethoxyxanthone; CHEBI:5313; 2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one; DTXSID10415161; 2,8-dihydroxy-1,6-dimethoxyxanthen-9-one; CHEMBL467590; 2,8-dihydroxy-1,6-dimethoxy-9-xanthenone; 15402-27-4; 2,8-dihydroxy-1,6-dimethoxy-xanthone; NSC-661743; 2,8-dihydroxy-1,6-dimethoxyxanthone; gentiacaulein; US9114126, 2027BA1; MLS000563494; 2,6-dimethoxyxanthone; HMS3338N03; AIDS-142918; AC1NQYS1; HMS2227I16; SMR000232301; C10064; Getiacaulein |
C15H12O6 |
288.25 |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O |
|
TCMBANKIN061737 |
ZINC00391893;pinostrobin |
ACon1_000237; MEGxp0_001269 |
C16H14O4 |
270.28 g/mol |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN061741 |
cardamomin |
AIDS-345183; (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; ACon1_000221; AIDS345183; Cardamonin; 1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; MEGxp0_000534; (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; 19309-14-9; ZINC04716487; MLS000876992; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-; (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; SMR000440601 |
C16H14O4 |
270.28 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
TCMBANKIN061752 |
Syringaldehyde |
BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde |
C9H10O4 |
182.17 g/mol |
COC1=CC(=CC(=C1O)OC)C=O |
|
TCMBANKIN061753 |
tricin |
5,7,4′-Trihydroxy-3′,5′-dimethoxyflavone; NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate |
C17H14O7 |
330.29 |
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN061755 |
(2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxy-phenyl)-5, 7-dimethoxy-2, 3-dimethylol-tetralin-6-ol |
(6R, 7R, 8S)-8-(4-hydroxy-3, 5-dimethoxy-phenyl)-6, 7-bis(hydroxymethyl)-1, 3-dimethoxy-5, 6, 7, 8-tetrahydronaphthalen-2-ol; (2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxyphenyl)-2, 3-bis(hydroxymethyl)-5, 7-dimethoxy-6-tetralinol; (6R, 7R, 8S)-8-(4-hydroxy-3, 5-dimethoxyphenyl)-6, 7-bis(hydroxymethyl)-1, 3-dimethoxy-5, 6, 7, 8-tetrahydronaphthalen-2-ol; (2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxy-phenyl)-2, 3-bis(hydroxymethyl)-5, 7-dimethoxy-tetralin-6-ol; lyoniresinol; (+)-lyoniresinol |
C22H28O8 |
420.45 |
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO |
|
TCMBANKIN061762 |
syringaresinol |
(+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A |
C34H46O18 |
742.72 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
|
TCMBANKIN061765 |
medioresinol |
4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (–)-Medioresinol; (+)-medioresinol; (+)-Medioresinol di-O-beta-D-glucopyranoside_qt; 40957-99-1 |
C21H24O7 |
388.4 g/mol |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
|
TCMBANKIN061766 |
2,6-dimethoxy-4-(2-propenyl)phenol |
phenol,2,6-dimethoxy-4-(2-propenyl); Methoxyeugenol; NSC16953; 4-Hydroxy-3,5-dimethoxyallylbenzene; InChI=1/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H; methoxyeugenol; 6627-88-9; 2,6-Dimethoxy-4-allylphenol; SBB003607; A31601_ALDRICH; W365505_ALDRICH; Phenol, 4-allyl-2,6-dimethoxy-; NSC60246; 2,6-dimethoxy-4-prop-2-enylphenol; Phenol, 2,6-dimethoxy-4-(2-propenyl)-; ZINC00404273; 4-Allyl-2,6-dimethoxyphenol; 2,6-dimethoxy-4-prop-2-enyl-phenol; 4-allyl-2,6-dimethoxy-phenol |
C11H14O3 |
194.23 g/mol |
COC1=CC(=CC(=C1O)OC)CC=C |
|
TCMBANKIN061767 |
Isogingerenone-B |
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; isogingerenone-b; (E)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one;isogingerenone b |
C22H26O6 |
386.44g/mol |
COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN061773 |
3,4,5-Trimethoxybenzaldehyde |
T68403_ALDRICH; 92140_FLUKA; AIDS017928; BRN 0395163; SBB016338; 4-08-00-02719 (Beilstein Handbook Reference); InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; Benzaldehyde, 3,4,5-trimethoxy-; EINECS 201-701-6; AI3-36673; AIDS-017928; NSC16692; ZINC02504375; 86-81-7; NSC 16692; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,4,5-trimethoxy-benzaldehyde; ANW-38381; F3099-6595; 3,4,5-TRIMETHOXY PHENYL ALDEHYDE; CS-W010602; BG00603136; BBL007764; KSC490M1D; 3, 4, 5-trimethoxy-benzaldehyde; RTR-027021; ST24032528; 3, 4, 5-trimethoxybenzaldehyde; NSC 16692; 3,4,5 -trimethoxybenzaldehyde; TR-027021; AI3-36673; AC1L1NGM; LABOTEST-BB LT03379804; TIMTEC-BB SBB016338; AKOS000118928; NSC-16692; DTXSID4058948; KS-00000JQI; PubChem8266; CHEMBL3577781; RP25430; Benzaldehyde, 3,4,5-trimethoxy-; UNII-WL86YD76N6; TMBA; PARAGOS 530452; BB_SC-6574; 2.3.4-Trihyroxybenzaldehyde; KB-28091; AK-44126; I01-1414; AC1Q489N; AKOS 214-88; AB1003214; LABOTEST-BB LT03333791; FT-0614154; 3,4,5-Trimethoxybenzaldehyde, 98%; 4-08-00-02719 (Beilstein Handbook Reference); 3,4,5,-trimethoxy benzaldehyde; DB-056953; M-3932; ST088220; CCG-231504; InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; 3,4,5 trimethoxybenzaldehyde; LS10216; AJ-35979; MFCD00003364; OPHQOIGEOHXOGX-UHFFFAOYSA-N; AB0007618; 86-81-7; SCHEMBL96635; TL8005630; W-104057; LABOTEST-BB LT00931453; 3,4,5-TRIMETHOXYBENZALDEHYDE; 3,4,5-TRIMETHOXYL BENZALDEHYDE; FT-0082713; BRN 0395163; CTK3J0611; STR03224; SC-07052; ZINC2504375; AC-11732; CJ-08446; OTAVA-BB 7018801952; LS-25170; NSC16692; 3,4,5,-trimethoxybenzaldehyde; WL86YD76N6; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,5-Trimethoxybenzaldehyde; BENZALDEHYDE, 3,4,5-TRIMETHOXY; 3,4,5-trimethoxy benzaldehyde; EINECS 201-701-6; ACMC-209qbj; AS02877; STK498479; 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0% (HPLC); SBB016338; MCULE-4313260384; CT0104; A841837; TRA0091886; AN-42358 |
C10H12O4 |
196.2 g/mol |
COC1=CC(=CC(=C1OC)OC)C=O |
|
TCMBANKIN061779 |
5,3',4',5'-tetramethoxy-6,7-methylenedioxy-isoflavone |
AC1L55TE; 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-; Q-100469; LMPK12050419; N1426; 743I731; 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one; KS-00000GFN; 9-methoxy-7-(3,4,5-trimethoxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; MolPort-020-005-753; V1554; C17958; AK608204; 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one; 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone; ZINC5999015; BG01674001; irisflorentin; MFCD02183467; 9-methoxy-7-(3,4,5-trimethoxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 41743-73-1; CHEBI:81410; FT-0688295; AKOS015896764; DTXSID60194575; CHEMBL487216; I07-0226 |
C20H18O8 |
386.35g/mol |
COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
|
TCMBANKIN061780 |
PELTATIN B |
KBioGR_002270; .alpha.-Peltalin A; .beta.-Peltatin; NSC35471; Peltatin methyl ether; 5-19-10-00670 (Beilstein Handbook Reference); AIDS-030810; KBioSS_002261; NCGC00161926-01; BSPBio_002772; alpha-Peltalin A; 518-29-6; AI3-50532; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha))- (9CI); Spectrum5_001882; PELTATIN, BETA; Spectrum4_001925; .beta.-Peltatin-B; KBio2_007396; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-; KBio3_001992; Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone; KBio2_002260; Peltatin, beta-; .beta.-Peltatin A; NCI60_001982; NSC 24819; ZINC03871713; Spectrum3_001096; (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; KBio2_004828; NSC24819; SPECTRUM1504739; BRN 0099483; AIDS030810; Spectrum_001780; SDCCGMLS-0066768.P001; beta-Peltatin A |
C22H22O8 |
414.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O |
|
TCMBANKIN061781 |
hernandin |
69222-20-4 (UNSPECIFIED); AIDS006791; Deoxypodophyllotoxin; AIDS-006791; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; (-)-Deoxypodophyllotoxin; (-)-Anthricin; Hernandin; Anthricin; DPT; Podophyllotoxin, deoxy-; SILICICOLIN; Desoxypodophyllotoxin; Anthriscin; NCI60_003794; (-)-Desoxypodophyllotoxin; 19186-35-7; 19186-35-7 (5R,5AR,8AR); Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-; 5,8,8a,9,-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; NSC403148; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-; C10556; 4-Deoxypodophyllotoxin; deoxypodophyllotoxin; (-)-deoxypodophyllotoxin; anthricin isomer; isoanthricin; anthricin |
C22H22O7 |
398.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
|
TCMBANKIN061782 |
isopicropodophyllone |
isopicropodophyllone; Podophyllotoxone; picropodophyllone; Picropodophyllon; 477-49-6; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione; C10875; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone; podophyllotoxone |
C22H20O8 |
412.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN061784 |
lirioresinol b dimethyl ether |
1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-; C24H30O8; ( )-O,O-Dimethyllirioresinol B; 1H,3H-Furo(3,4-c)furan, 3aalpha,4,6,6aalpha-tetrahydro-1alpha,4alpha-bis(3,4,5-trimethoxyphenyl)-; ( )-Yangabin; Yangabin; 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5)-trimethoxyphenyl)-, 1alpha,3aalpha,4alpha,6aalpha)-; CCRIS 8944; Lirioresinol B dimethyl ether; O,O-Dimethyllirioresinol B; lirioresinol b dimethyl-ether; Lirioresinol B, dimethyl-; LS-70759; (1S-(1alpha,3aalpha,4alpha,6aalpha))-isomer of epiyangambin; Lirioresinol B, O,O-dimethyl-; (- )-lirioresinol B; ACon1_001856; (1R,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; MEGxp0_001363; CTK4E6827; DTXSID10175733; SCHEMBL17385618; AC1L4ZYE; (1r,3ar,4r,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan; 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-,(1R,3aR,4R,6aR)-; Diayangambin; (+)-Diayangambin; AC1Q70YI; (3R,3aR,6R,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan; Tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-(1R)-1alpha,3abeta,4alpha,6abeta-1H,3H-furo(3,4-c)furan; 21453-68-9; ZINC31477287; yangambin; C10894; ZINC04098936; (1S,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; 13060-14-5; Yangambin; diayangambin |
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN061785 |
(?)-dihydroclusin |
(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol;NSC332042; (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol; 73149-51-6 |
C22H28O7 |
404.5 g/mol |
COC1=CC(=CC(=C1OC)OC)CC(CO)C(CC2=CC3=C(C=C2)OCO3)CO |
|
TCMBANKIN061787 |
(-)-yatein |
Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one |
C22H24O7 |
400.42 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN061793 |
liriodendrin |
HMS2205G05; syringaresinol diglucoside; liriodendrtachioside; MLS002472897; SMR001397008; NCGC00247452-01; Liriodendrin; CHEMBL505393; eleutheroside e |
C34H46O18 |
742.72 g/mol |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
|
TCMBANKIN061797 |
quercetin-5-methylether |
C10022; SCHEMBL890990; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one; AC1NQYPM; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one; DTXSID80200945; CHEBI:2945; CTK4J6785; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one; AN-45601; C-57752; LMPK12112546; 5-O-Methyl Quercetin; 529T511; BG01606206; 3,3',4',7-Tetrahydroxy-5-methoxyflavone; MFCD00017427; DB-052222; Quercetin 5-methyl ether; AZALEATIN (RG); BDBM50326483; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-chromone; Q-100928; 529-51-1; azaleatin; CHEMBL470848; LS-185205; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-; FT-0632310; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-chromen-4-one; Ambap529-51-1; 3,3',4 inverted exclamation mark ,7-Tetrahydroxy-5-methoxyflavone; ZINC5998785; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-; 5-O-Methylquercetin;Azaleatin |
C16H12O7 |
316.26 g/mol |
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN061805 |
myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin |
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene |
C11H12O3 |
192.21 g/mol |
COC1=CC(=CC2=C1OCO2)CC=C |
|
TCMBANKIN061806 |
aristolochicacid iva |
aristolochic acid Ⅳa; aristolochic acid D;Aristoloside_qt |
C17H11NO8 |
357.27g/mol |
COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O |
|
TCMBANKIN061810 |
DMBQ;2,6-dimethoxybenzoquinone |
2,6-Dimethoxysemiquinone radicals; KBioSS_001203; SPECTRUM200413; 2,6-Dimethoxybenzo-1,4-quinone; 2,6-Dimethoxy-p-quinone; Spectrum_000723; NCGC00095215-02; Spectrum2_000781; DIMETHOXYBENZOQUINONE,2,6-; Spectrum4_001608; NCGC00095215-01; 2,6-Dimethoxybenzoquinone; ghl.PD_Mitscher_leg0.4; ZINC00137119; Maybridge1_002628; SDCCGMLS-0066389.P001; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-); NSC 24500; EINECS 208-484-7; NCI60_001958; 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione; KBio2_006339; 2,6-Dimethoxyquinone; BSPBio_001673; DivK1c_001380; ST5331798; p-Benzoquinone, 2,6-dimethoxy-; Spectrum5_000335; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9CI); 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-; KBio2_001203; C10331; 2,6-Dimethoxysemiquinone anions; CDS1_000340; NSC24500; KBio3_001173; NSC56336; 26547-64-8; 2,6-Dimethoxy-p-benzoquinone; AIDS011961; 2,6-Dimethoxy-1,4-benzoquinone; SPBio_000882; KBio2_003771; Spectrum3_000177; 428566_ALDRICH; 530-55-2; KBioGR_001955; AIDS-011961 |
C8H8O4 |
168.15 g/mol |
COC1=CC(=O)C=C(C1=O)OC |
|
TCMBANKIN061812 |
ANN |
CHEBI:40813; Anisic acid, p-isomer; ANISIC ACID, PARA; 4-10-00-00346 (Beilstein Handbook Reference); EINECS 202-818-5; C02519; 10550_FLUKA; p-Anisic acid; 4-Methoxybenzoic acid; p-Methoxybenzoic acid; ST5213868; 4-Anisic acid; NCIOpen2_004706; W394505_ALDRICH; NSC32742; 84688_FLUKA; AIDS018080; 117390_ALDRICH; Benzoic acid, 4-methoxy-; 100-09-4; InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10; AI3-00893; AE-848/32075009; AIDS-018080; NSC7926; Draconic acid; EINECS 215-618-8; BRN 0508910; 1335-08-6; Kyselina 4-methoxybenzoova [Czech]; NSC 32742; ANISIC ACID;p-anisic acid;anisicacid;4-methoxy benzoic acid;4-anisate; 4-Methoxybenzoate; Methoxybenzoic acid; anisic acid; BDBM23435; 4-methyoxybenzoate ion; A800042; p-methoxybenzoate; 4-Methoxybenzoic acidanion; CHEBI:16639; p-anisate; AC1MX20M; 4-methoxybenzoate, 4; ZB010665; 16285-97-5; CJ-02856; 4-methoxy benzoic acid; p-methoxybenzoic acid |
C8H8O3 |
152.15 |
COC1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN061820 |
3-(4-methoxyphenyl)-2-propenal |
3-(4-methoxyphenyl)acrylaldehyde; (E)-3-(4-methoxyphenyl)prop-2-enal; p-methoxycinnamaldehyde; p-MeO-cinnamaldehyde; AXCXHFKZHDEKTP-NSCUHMNNSA-N; RP17390; CJ-05236; 4-Methoxycinnamaldehyde; p-Methoxy cinnamaldehyde; trans-p-Methoxycinnamaldehyde, analytical standard; I14-56551; para-METHOXY CINNAMIC ALDEHYDE (PMCA); KB-193129; ST2417372; BRD-K19243101-001-01-6; TL80073683; UNII-54098389BL; (2E)-3-(4-methoxyphenyl)acrylaldehyde; AMBZ0230; NSC-26454; trans-p-Methoxycinnamaldehyde; FEMA No. 3567; AI3-05957; trans-4-methoxy cinnamaldehyde; ZINC1531852; CHEMBL452173; MFCD00017343; ghl.PD_Mitscher_leg0.403; (2E)-3-(4-Methoxyphenyl)-2-propenal #; Cinnamaldehyde, p-methoxy-; AK306471; bmse010142; DTXSID1044308; J-501926; Para-methoxy cinnamaldehyde; NSC26454; NSC 26454; AKOS015851928; 2-Propenal, 3-(4-methoxyphenyl)-; BG01501139; p-methoxy cinnamaldehyde; NSC-134287; (2E)-3-(4-Methoxyphenyl)-2-propenal; AC1Q6PPJ; (E)-3-(4-methoxyphenyl)-2-propenal; Cinnamaldehyde, p-methoxy-, (E)-; PK04_096267; Cinnamaldehyde, p-methoxy- (8CI); 3-(4-Methoxyphenyl)-(2E)-2-propenal; (E)-para-methoxycinnamaldehyde; W356700_ALDRICH; InChI=1/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2; NCGC00171001-01; 3-(4-methoxyphenyl)prop-2-enal; (E)-3-(4-methoxyphenyl)-acrylaldehyde; Methoxycinnamaldehyde, p-; RTR-009115; 3-(4-methoxyphenyl)acrolein; 2-propenal, 3-(4-methoxyphenyl)-, (2E)-; (E)-3-(4-methoxyphenyl)acrolein; EN300-96338; Z3586; EINECS 217-807-0; NSC134287; (2E)-3-(4-methoxyphenyl)prop-2-enal; 3-(4-Methoxyphenyl)-2-propenal; I01-9542; 24680-50-0; 4-methoxy cinnamaldehyde; (E)-3-(4-Methoxyphenyl)acrylaldehyde; (E)-4-methoxycinnamaldehyde; C10475; MolPort-020-168-614; 3-(4-Methoxyphenyl)propenal; trans-p-Methoxycinnamaldehyde, >=98%, stabilized; 1963-36-6; trans-4-Methoxycinnamaldehyde; 54098389BL; AJ-26736; p-Methoxycinnamic aldehyde; ST50827243; AC1LD2JJ; para-Methoxy cinnamic aldehyde; AK128287; M1012; TR-009115; SCHEMBL514958; ZINC01531852; p-methoxy-cinnamaldehyde;p-Methoxycinnamaldehyde |
C10H10O2 |
162.19 |
COC1=CC=C(C=C1)C=CC=O |
|
TCMBANKIN061822 |
4-methoxybenzaldehyde |
KS-000002NI; EC 204-602-6; anisaldehyd; 4-methoxylbenzaldehyde; SBB040224; FEMA No. 2670; DB-012818; 4-Methoxybenzaldehyde; 4-(methyloxy)benzaldehyde; A0480; MFCD00003385; CJ-01596; SC-26765; 4-Methoxybenzaldehyde, 98% 50g; bmse010130; AK-72956; BENZALDEHYDE,4-METHOXY MFC8 H8 O2; 4-methoxybenzoyl; 4-Anisaldehyde; NCGC00257076-01; AN-22903; EBD1062; I922; P-ANISALDEHYDE; p-Anisic aldehyde; p-Methoxybenzaldehyde; Anisaldehyde; anisal; 79582-EP2305698A2; 4-methoxybenzaldehye; BG01497623; C10761; EINECS 256-891-3; DSSTox_RID_78277; Methoxybenzaldehyde (Related); EINECS 204-602-6; KB-193002; BB_NC-2206; AS02988; NSC 5590; p-Anisaldehyde, natural, 98%, FG; Benzaldehyde, 4-methoxy-; 4-Methoxy-benzaldehyde; HMS3039F08; p-Methoxybenzylidenemalonitrile; DSSTox_GSID_26997; 4-methoxybenzene carboxaldehyde; I01-0482; 123-11-5; anisic aldehyde (natural); UNII-9PA5V6656V; RP20260; AJ-14902; p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard; Q-100105; 79582-EP2292628A2; ST50213373; Anisaldehyde solution; 79582-EP2374783A1; DTXSID2026997; p-Methoxy Benzaldehyde, Natural; NCGC00090807-01; KB-115367; ZINC157146; p-Anisaldehyde, primary pharmaceutical reference standard; AI3-00223; 68894-36-0; 79582-EP2298755A1; AC-10379; AC1L1L81; CHEMBL161598; p-Anisaldehyde, for synthesis, 98.0%; 4-methoxy-benzaldehyde; LS-20018; 29578-EP2308838A1; CAS-123-11-5; SCHEMBL1100; 29578-EP2311825A1; InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H; SMR001224521; p-Anisaldehyde, 8CI; 29578-EP2305696A2; 4-08-00-00252 (Beilstein Handbook Reference); LS-2093; 79582-EP2305695A2; para-methoxybenzaldehyde; 26249-15-0; ZRSNZINYAWTAHE-UHFFFAOYSA-N; CHEBI:28235; NATURAL ANISIC ALDEHYDE; DSSTox_CID_6997; p-Formylanisole; Anisaldehyde; p-Anisaldehyde (4-Methoxybenzaldehyde); ACMC-1BAZN; 29578-EP2305695A2; Formylanisole, p-; WLN: VHR DO1; p-Anisaldehyde, 98%; p-Methoxybenzafdehyde; BRN 0471382; ZB006571; Caswell No. 051E; ST2411506; FT-0617622; 4-Methoxybenzaldhyde; p-Anisaldehyde, certified reference material, TraceCERT(R); KSC174M6D; 29578-EP2311842A2; NCGC00259492-01; p-Methoxybenzaldehyde (natural); p-Anisaldehyde, >=97.5%, FCC, FG; p-Methoxybenzaldehyde; Tox21_303331; 721942-53-6; p-Anisic aldehyde; 3-Chlorobenzenesulfonyl chloride, 98%; 79582-EP2305696A2; MLS002152921; RTR-003659; A805017; p-Anisaldehyde, analytical standard; 4-methoxy benzaldehyde; Anis aldehyde; para-anisaldehyde; 4-methoxybezaldehyde; HSDB 2641; 29578-EP2284160A1; PubChem22535; Aubepine; 29578-EP2305698A2; Jsp001555; I01-8766; ANW-18100; 79582-EP2305697A2; AKOS000118814; 29578-EP2292628A2; M-6033; Anisic aldehyde; CTK0H4661; BR-72956; TR-003659; TRA0080347; 79582-EP2287153A1; BBL027436; Tox21_201943; NCGC00090807-02; NSC-5590; para-methoxy benzaldehyde; Obepin; CCG-214805; MolPort-000-871-198; CS-W020189; FEMA 2670; Anisaldehyde (para); 79582-EP2377841A1; 29578-EP2305697A2; MCULE-9537754812; F2190-0575; 9PA5V6656V; p-methoxy benzaldehyde; AC1Q4CCF; NSC5590; CCRIS 821; BDBM50139370; Crategine;anisaldehyde;p-Anis aldehyde;AI3-00223; 4-Anisaldehyde; Crategine; 26249-15-0; p-Methoxybenzaldehyde (natural); EINECS 204-602-6; C10761; 19486-71-6; 68894-36-0; NSC 5590; 4-Methoxybenzaldehyde-; CCRIS 821; Aubepine; ZINC00157146; InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H; WLN: VHR DO1; Anisaldehyde solution; (4-METHOXYPHENYL)((2)H)FORMALDEHYDE; Benzaldehyde, 4-methoxy-; Benzaldehyde, methoxy-; ST5213373; p-Formylanisole; W267007_ALDRICH; HSDB 2641; A-d1; 4-08-00-00252 (Beilstein Handbook Reference); deuterio-(4-methoxyphenyl)methanone; Obepin; p-Anisaldehyde; Aub+ pine; NSC5590; ANISALDEHYDE; 4-Methoxybenzaldehyde; 97063_FLUKA; 123-11-5; FEMA No. 2670; p-Anisic aldehyde; Caswell No. 051E; BRN 0471382; 50984-52-6; DTXSID40460063; A88107_ALDRICH; 4-Methoxybenzaldehyde-alpha-d1, 98 atom % D; 4-Methoxybenzaldehyde-alpha-d1; p-Methoxybenzaldehyde; Formylanisole, p-; BENZALDEHYDE,4-METHOXY MFC8 H8 O2; LS-2093; Anisic aldehyde; EINECS 256-891-3; NCGC00090807-01; Methoxybenzaldehyde; SRA1_SIAL; p-Anisaldehyde-;p-anisaldehyde |
C8H8O2 |
136.15 g/mol |
COC1=CC=C(C=C1)C=O |
|
TCMBANKIN061827 |
ethoxychelerythrine;lysionotin |
13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; BG01680984; SCHEMBL13103363; 20-ETHOXY-17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; Y0019; AC1NSV9I; 12,13-Dihydro-13-ethoxy-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine; FT-0723636;ACon1_000159; 5,7-Dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromone; C10111; ACon0_001112; AIDS035341; Lysionotin; MEGxp0_001862; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; AIDS-035341; 10176-66-6;ethoxychelerythrine;lysionotin |
C18H16O7 |
344.3 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O |
|
TCMBANKIN061828 |
5-hydroxy-4',7-dimethoxy-flavone; Flavone der. |
AIDS-071717; 5-Hydroxy-4',7-dimethoxy-flavone; Genkwanin 4'-methyl ether; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; NSC94547; Flavone, 5-hydroxy-4',7-dimethoxy- (8CI); 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-; Flavone, 5-hydroxy-4,7-dimethoxy-; 5-Hydroxy-4',7-dimethoxyflavone; 5128-44-9; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone; FLAVONE,5-HYDROXY-4-7-DIMETHOXY; AIDS071717; 5'-Hydroxy-7,4'-dimethoxyflavone; NSC 94547; C10019; Apigenin dimethylether; EINECS 225-867-4; 4',7-Dimethylapigenin; 5-Hydroxy-7,4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- (9CI); Apigenin 7,4'-dimethyl ether; Apigenin 4',7-dimethyl ether; Flavone, 5-hydroxy-4',7-dimethoxy-; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone |
C17H14O5 |
298.29 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
|
TCMBANKIN061831 |
tamgeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
C20H20O7 |
372.37 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC |
|
TCMBANKIN061842 |
8-O-methylretusin |
|
C17H14O5 |
298.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O |
|
TCMBANKIN061845 |
olmelin |
Biochanin-A; NSC123538; Genistein 4-methyl ether; 5,7-dihydroxy-3-(4-methoxyphenyl)chromone; 5,7-dihydroxy-3-(4-methoxyphenyl)-4-chromenone; Genistein 4′-methyl ether; CCRIS 5449; KBioGR_002274; Isoflavone, 5,7-dihydroxy-4'-methoxy- (8CI); Spectrum4_001927; KBio2_005811; BSPBio_002776; Spectrum3_001098; KBio1_001027; NSC 123538; NCGC00017369-01; NINDS_001027; Spectrum2_000047; ST057580; Biochanin A; 5,7-Dihydroxy-4'-methoxyisoflavone; NCGC00022428-03; AIDS012225; C00814; KBioSS_000675; KBio3_001996; SMR000059116; Spectrum5_001624; MLS000069443; AIDS-012225; CHEBI:17574; NCI60_000558; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; IDI1_001027; KBio2_003243; 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-5,7-dihydroxy isoflavone; SPECTRUM10100003; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; SPBio_000173; Spectrum_000195; EINECS 207-744-7; D2016_SIGMA; Biochanin; 4'-Methylgenistein; SMP1_000045; Isoflavone, 5,7-dihydroxy-4'-methoxy-; KBio2_000675; ZINC00016666; 5,7-Dihydroxy-4′-methoxyisoflavone; NCGC00022428-05; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; Oprea1_038096; TNP00319; Biochanine A; 491-80-5; DivK1c_001027 |
C16H12O5 |
284.26 |
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
|
TCMBANKIN061849 |
1-methoxy-4-(2-propenyl)-benzene |
4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol |
C10H12O |
148.2 g/mol |
COC1=CC=C(C=C1)CC=C |
|
TCMBANKIN061851 |
DPMC |
5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4H-1-benzopyran-4-one; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 128922-70-3; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone; 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-; 5,8-Dihydroxy-2-[2-(4'-methoxyphenyl) ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)-ethyl]chromone |
C18H16O5 |
312.32 |
COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O |
|
TCMBANKIN061861 |
m-Anisaldehyde |
3-Methoxybenzaldehyde; W513105_ALDRICH; 4-08-00-00241 (Beilstein Handbook Reference); 591-31-1; CCRIS 960; Metamethoxybenzaldehyde; 129658_ALDRICH; 3-Anisaldehyde; AI3-52556; m-Methoxybenzaldehyde; InChI=1/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H; ST5213433; Benzaldehyde, 3-methoxy-; BRN 0606013; 64780_FLUKA; NSC43794; NSC 43794; ZINC01676373; EINECS 209-712-8 |
C8H8O2 |
136.15 |
COC1=CC=CC(=C1)C=O |
|
TCMBANKIN061863 |
m-Guaiacol |
m-Hydroxyanisole; 3-(methyloxy)phenol; AIDS-017861; Resorcinol monomethyl ether; EINECS 205-754-6; Phenol, 3-methoxy-; NSC21735; InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H; 150-19-6; 1-Hydroxy-3-methoxybenzene; AI3-00796; 3-Methoxyphenol; ZINC00389516; 3-METHOXY-PHENOL; 328456_ALDRICH; Phenol, m-methoxy-; m-Methoxyphenol; 3-Hydroxyanisole; Resorcinol methyl ether; 3-Hydroxyanisol; NSC 21735; AIDS01786; 3-methoxyphenol; RP19573; 4-hydroxy-2-methoxyphenyl; ZLC0026; BB_SC-6850; 4CN-1025; CS-D1677; M0122; m-Methoxyphenol; CAS-150-19-6; DTXSID0022012; 88189-EP2305648A1; HXB7441U87; NSC-21735; LABOTEST-BB LTBB002880; BDBM36297; 88189-EP2298750A1; 1-HYROXY-4-METHOXYBENZENE; LS-104768; 3-Methoxyphenol, analytical standard; KSC177G7R; m-methoxy-phenol; NSC 21735; METHOXYPHENOL, PARA-; AK105946; 3-methyloxyphenol; FT-0616005; AN-44011; SC-27007; ST2410764; META-METHOXYPHENOL; Resorcinol monomethyl ether; ZINC389516; Phenol, 3-methoxy-; AKOS000120300; InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H; PARAGOS 500026; ANW-21265; AI3-00796; m-Guaiacol; Jsp002861; KS-00000V0W; AC1Q4E80; TR-006122; 3-Hydroxyanisole; CHEMBL57891; BG01496812; CHEBI:52678; ASHGTJPOSUFTGB-UHFFFAOYSA-N; DSSTox_CID_2012; DB-002515; AKOS AKM01253; SCHEMBL12015261; SC-06352; 3-Methoxyphenol, 96%; 88189-EP2269977A2; AC1L1S44; STL141067; ZB011737; m-Hydroxyanisol; 3-(methyloxy)phenol; MCULE-7145223398; 88189-EP2270006A1; BBL009702; NSC21735; NCGC00357098-01; 1-Hydroxy-3-methoxybenzene; SBB060932; LABOTEST-BB LTBB001936; ST51047026; OTAVA-BB 1366571; 3-METHOXYPHENOL; PubChem13577; L543; CK1184; METHOXYPHENOL(P-); UNII-HXB7441U87; 3-methoxy phenol; AS00218; MFCD00002267; KS-00000UG4; m-Hydroxyanisole; DSSTox_GSID_22012; I01-7331; zlchem 218; SCHEMBL28256; Tox21_303820; PARA METHOXY PHENOL; EINECS 205-754-6; 150-19-6; AJ-20809; 3-METHOXY-PHENOL; AC-18515; X-1701; Phenol, m-methoxy-; Resorcinol methyl ether; HYDROXYANISOLE-4; 88189-EP2277881A1; MolPort-001-785-031; 4-METHOXYPHEOL; Z1262395996; KB-32557; 3-Hydroxyanisol; AC1Q7AKN; ACMC-209d43; CTK0H7378; AS04315; W-108077; F0001-0533; RTR-006122 |
C7H8O2 |
124.14 |
COC1=CC=CC(=C1)O |
|
TCMBANKIN061864 |
Skullcapflavone II |
CHEBI:9061; SCHEMBL3960981; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-; Skullcapflavon II; AC1L3Y1Y; NSC717846; skullcapflavone ii; MolPort-019-937-105; ZINC899074; AC1Q6AIS; DTXSID10203606; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromone; Neobaicalein; 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavone; C10183; NP-016391; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4-chromenone; NSC-717846; 55084-08-7; CHEMBL465561; NCI60_040650; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; Skullcapflavone II, >=90% (LC/MS-UV); LMPK12111423; Scullcapflavone II; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one; MCULE-5710725548 |
C19H18O8 |
374.34 |
COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O |
|
TCMBANKIN061865 |
Anizol |
Phenol methyl ether; HSDB 44; NSC7920; InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H; FEMA No. 2097; Anisol; 100-66-3; Anisole [UN2222] [Flammable liquid]; METHOXY-BENZENE (ANISOL); Methyl phenyl ether; 123226_SIAL; W209708_ALDRICH; AIDS-017804; NSC 7920; CHEBI:16579; Benzene, methoxy-; WLN: 1OR; UN2222; Methoxybenzene; FEMA Number 2097; AI3-00042; 296295_ALDRICH; ZINC00897131; Benzene, methoxy; Phenoxymethane; 10520_FLUKA; Ether, methyl phenyl; Ether, methyl phenyl-; Anisole; AIDS017804; EINECS 202-876-1; C01403; Phenyl methyl ether; 96109_FLUKA;anisole |
C7H8O |
108.14 |
COC1=CC=CC=C1 |
|
TCMBANKIN061868 |
o-methoxy phenol |
2-methoxyphenol;guaiacol;Guasol;Catechol mono methyl ether; DSSTox_RID_77552; SMR000059155; ANW-13634; Anastil; WLN: QR BO1; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; CHEMBL13766; SCHEMBL21626; AI3-05615; DB-024854; 6JKA7MAH9C; Guajacol; Guaiacol (2-Methoxyphenol); 2-Methoxyphenol, 98% 250g; 2-methoxyphenol;; Methyl Catechol; CAS-90-05-1; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material; HMS3372N11; Guaiacol [JAN:NF]; 2-Methoxy-Phenol; 3-hydroxy-2-methoxyphenyl; 2-methoxy phenol; SBB058681; a hydroxlyated aryl lignin fragment; NCGC00090827-06; Guaiacol, Vetec(TM) reagent grade, 98%; UNII-6JKA7MAH9C; D00117; 26638-03-9; 7519-EP2295426A1; 7519-EP2316470A2; Guaicol; Guaiacol, oxidation indicator; guaiacol; Creosote (wood); guiacol; SR-01000838056-3; 2-Hydroxyanisole; Creosote, beechwood; DTXSID0023113; 7519-EP2308857A1; CCRIS 6004; o-Hydroxyanisole; AJ-63992; ZINC13512224; SR-01000838056-2; EINECS 232-419-1; RCRA waste number U051; 7519-EP2305636A1; C01502; Beechwood creosote; 2-(methyloxy)phenol; 196981-EP2371803A1; SC-18105; A843426; HMS2233P04; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, natural, >=99%, FG; HMS2089D18; AB00876226_07; Tox21_202990; MFCD00002185; Guaiastil; guaiacol (liquid) extra pure; bmse000436; NCGC00090827-03; CREOSOTE, WOOD; orthomethoxyphenol; AB00876226-06; 7519-EP2305683A1; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; NSC3815; Guaiacol [JAN]; methoxy phenol; AK114448; 6-methoxyphenol; Guajakol [Czech]; NCGC00090827-02; ST2410094; FEMA No. 2532; EC 201-964-7; CS-D1347; Methylcatachol; Guaiacol, SAJ first grade, >=98.0%; Creosote [JAN]; 7519-EP2308861A1; JZ3; STL281868; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; o-Guiacol; HSDB 1979; NCGC00090827-01; SR-01000838056; M0121; 7519-EP2316832A1; DSSTox_CID_3113; o-methoxy-Phenol; Guaiacol (natural); Tox21_400004; Guaiacol, European Pharmacopoeia (EP) Reference Standard; ortho-Guaiacol; Guajakol; Phenol, 2-methoxy-; PS-3252; Guaicolina; ACMC-209784; EBD2205193; NSC-760376; Pyrocatechol monomethyl ether; 7519-EP2314584A1; D02JUW; NSC760376; C15572; AN-17339; 7519-EP2311839A1; Phenol, o-methoxy-; Wood creosote; 2-Methoxyphenol; Creosote; Tox21_111031; 7519-EP2314589A1; AB1001888; ortho-methoxyphenol; CCG-214035; bmse010027; Creosote (wood tar); AC1Q46B5; I01-6054; 1-Hydroxy-2-methoxybenzene; o--methoxyphenol; TR-028311; LS-1906; NCGC00090827-07; 7519-EP2316837A1; 7519-EP2316833A1; EINECS 201-964-7; BDBM50240369; 196981-EP2269977A2; KS-00000KSX; 1990/5/1; Guajol; AC1L19AA; ST50214385; 7519-EP2295427A1; o-Guaiacol; CAS-8021-39-4; Guasol; HSDB 4241; MLS001055375; NCGC00090827-04; 8021-39-4; RTR-028311; ghl.PD_Mitscher_leg0.900; DSSTox_RID_76880; Pyroguaiac acid; MolPort-000-871-969; NCGC00090827-05; UNII-3JYG22FD73; Beechwood creosote (Fagus spp.); Creodon (TN); Pharmakon1600-01506165; Hydroxyanisole; Nat.Guaiacol; F2173-0425; 2-methoxyl-4-vinylphenol; O-Methyl catechol; o-Methoxyphenol; Creodon; CTK1A4914; KB-30331; Guaiacol (JAN); NCGC00258688-01; Pyrocatechol methyl ester; DB11359; 7519-EP2311821A1; Methylcatechol; AKOS000118831; Guaiacol, puriss., 99%; 3JYG22FD73; NSC 3815; NCGC00260535-01; Catechol monomethyl ether; STR03604; Guaiacol, United States Pharmacopeia (USP) Reference Standard; HMS3715E11; 1- hydroxy-2-methoxybenzene; KSC204S1J; 7519-EP2292227A2; DSSTox_GSID_24853; 196981-EP2377843A1; FT-0626815; NSC-3815; MCULE-5627336368; Q-100002; CCRIS 2943; 2-methoxyphenol (guaiacol); CHEBI:28591; DSSTox_GSID_23113; Phenol, methoxy-; Tox21_201136;HSDB 4241; 90-05-1; Anastil; 8021-39-4; Guaicolina; ZINC00001521; WLN: QR BO1; ghl.PD_Mitscher_leg0.900; Pyrocatechol monomethyl ether; 50880_FLUKA; AI3-05615; Pyroguaiac acid; Guaiastil; Methoxyphenol; AIDS-107096; NCGC00090827-03; CREOSOTE, WOOD; Guajacol; Creodon (TN); NSC3815; Guaiacol [JAN]; C15572; Creodon; o-Methoxyphenol; 2-Methoxyphenol; Guajakol [Czech]; O-Methyl catechol; Phenol, o-methoxy-; NCGC00090827-02; Guaiacol (JAN); W253200_ALDRICH; D00117; FEMA No. 2532; Pyrocatechol methyl ester; Methylcatechol; 26638-03-9; Guaicol; CPD-400; NSC 3815; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; guaiacol; NCGC00090827-01; Catechol monomethyl ether; G5502_SIGMA; ST5214385; 1-Hydroxy-2-methoxybenzene; 2-Hydroxyanisole; AIDS107096; o-Hydroxyanisole; Guaiacol (natural); EINECS 201-964-7; Phenol, 2-methoxy-; Guajol; CCRIS 2943; C01502; o-Guaiacol; CHEBI:28591; Phenol, methoxy- |
C7H8O2 |
124.14 g/mol |
COC1=CC=CC=C1O |
|
TCMBANKIN061878 |
HMO |
3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Isoformononetin; 3-(4-hydroxyphenyl)-7-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-; 7-methoxy-4'-hydroxyisoflavone; C12125; 4'-HYDROXY-7-METHOXYISOFLAVONE; 3-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 3-(4-hydroxyphenyl)-7-methoxy-chromone;isoformononetin |
C16H12O4 |
268.26 g/mol |
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O |
|
TCMBANKIN061879 |
dulcisxanthone c |
1-hydroxy-2,3,4,6-tetramethoxy-xanthone;1-hydroxy-2,3,4,6-tetramethoxy-xanthen-9-one; 1-hydroxy-2,3,4,6-tetramethoxyxanthen-9-one; 1-hydroxy-2,3,4,6-tetramethoxy-9-xanthenone |
C17H16O7 |
332.3 g/mol |
COC1=CC2=C(C=C1)C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
|
TCMBANKIN061880 |
herniarin |
7-methoxycoumarin; 7- methoxy coumarin; Ayapanin220337_ALDRICH; NSC404559; 7-methoxychromen-2-one; DivK1c_006418; KBioGR_002056; Herniarine; KBio2_006008; KBio3_001206; 2H-1-BENZOPYRAN-2-ON; E, 7-METHOXY-; SDCCGMLS-0066524.P001; Herniarin; 531-59-9; 7-Methoxycoumarin; MEGxp0_000150; ACon1_002037; 64951_FLUKA; 7-Methoxy-2H-1-benzopyran-2-one; 5-18-01-00387 (Beilstein Handbook Reference); C09268; SPBio_000615; NSC 404559; 7-methoxy-2-chromenone; METHOXYCOURMARIN, 7-; BSPBio_001706; Spectrum_000392; KBio2_003440; KBioSS_000872; ST5406549; Spectrum3_000263; EINECS 208-513-3; Methyl umbelliferyl ether; MLS000574914; AIDS026313; SPECTRUM210874; Spectrum4_001558; Spectrum2_000398; Herniarin (6CI); KBio2_000872; SpecPlus_000322; Coumarin, 7-methoxy-; Spectrum5_000156; ZINC00391177; Coumarin, 7-methoxy- (8CI); W515809_ALDRICH; AIDS-026313; Methylumbelliferone; BRN 0141728; KBio1_001362; NCGC00095528-01; SMR000156201 |
C10H8O3 |
176.17 g/mol |
COC1=CC2=C(C=C1)C=CC(=O)O2 |
|
TCMBANKIN061881 |
Tylophorinidine |
tylophoridine |
C22H23NO4 |
365.42 |
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)O)OC |
|
TCMBANKIN061884 |
Pterocarpine |
ZINC02048856; pterocarpine |
C17H14O5 |
298.29 |
COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
|
TCMBANKIN061890 |
MBOA; coixol |
6-MBOA; 2(3H)-Benzoxazolone, 6-methoxy- (9CI); ST5407906; ZINC00403022; 532-91-2; AIDS166239; 6-Methoxy-2(3H)-benzoxazolone; 6-methoxy-3H-1,3-benzoxazol-2-one; M0640_SIGMA; AI3-30619; Coixol; AIDS-166239; 543551_ALDRICH; 6-Methoxybenzoxazolinone; 6-Methoxy-2-benzoxazolinone; 2-BENZOXAZOLINONE, 6-METHOXY-; 6-methoxy-2-hydroxybenzoxazole; MKMCJLMBVKHUMS-UHFFFAOYSA-N; ACT08323; 6-Methoxy-2(3H)-benzoxazolone; 6-methoxy-benzoxazolin-2(3h)-one; AK117316; Coixol; AI3-30619; SCHEMBL912220; CHEMBL454809; 6-METHOXYBENZO[D]OXAZOL-2(3H)-ONE; 6-methoxy-3-hydrobenzoxazol-2-one; 6-Methoxy-1,3-benzoxazol-2(3H)-one #; 6-Methoxybenzoxazolinone; 2-BENZOXAZOLINONE, 6-METHOXY-; ZINC403022; A-7587; MBOA; 6-MBOA; ST24045460; BG01501741; 6-Methoxy benzoxazol-2-one; 6-methoxy-3H-1,3-benzoxazol-2-one; 4CN-0977; ACMC-20alyc; CTK4J7462; 6-Methoxy-2-benzoxazolinone, 8CI; 6-methoxybenzoxazolin-2(3h)-one; KB-199521; W1141; AJ-21917; AKOS005206944; MolPort-003-936-318; DTXSID30201260; MCULE-6180078322; 6-Methoxy-1,3-benzoxazol-2(3H)-one; MFCD00051726; 6-methoxy-3H-benzooxazol-2-one; LS-42301; I01-19630; TC-168123; 2(3H)-Benzoxazolone, 6-methoxy- (9CI); 6-Methoxy-2-benzoxazolinone; FT-0621182; 2(3H)-Benzoxazolone,6-methoxy-; AC1L1VWW; ST50407906; 532-91-2; CS-5296; 6-Methoxy-2-benzoxazolinone, 97%; AKOS015889593; 2(3H)-Benzoxazolone, 6-methoxy-; KS-00001FKD; HY-N0936 |
C8H7NO3 |
165.15 g/mol |
COC1=CC2=C(C=C1)NC(=O)O2 |
|
TCMBANKIN061902 |
dambonitol |
dambonite |
C8H16O6 |
208.21 |
COC1C(C(C(C(C1O)OC)O)O)O |
|
TCMBANKIN061930 |
5,15-dimethylmorindol |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)anthracene-9,10-dione; 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone; 1,3-dihydroxy-5,6-dime thoxy-2-methyl-9,10-anthraquinone |
C17H14O6 |
314.29 g/mol |
COCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O |
|
TCMBANKIN061936 |
dimethyl sulfone |
RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone |
C2H6O2S |
94.14 g/mol |
CS(=O)(=O)C |
|
TCMBANKIN061939 |
MSM |
Thiobis(methane); Dimethyl sulfide [UN1164] [Flammable liquid]; (methylthio)methane; EINECS 200-846-2; Dimethyl thioether; Methane, thiobis-; Dimethylsulfid [Czech]; 2-Thiapropane; [SMe2]; W274615_ALDRICH; UN1164; 31533-72-9; HSDB 356; InChI=1/C2H6S/c1-3-2/h1-2H; BRN 1696847; REDUCED-DMSO; Dimethyl sulfide (natural); dimethylsulfide; AI3-25274; W274607_ALDRICH; (METHYLSULFANYL)METHANE; thiobismethane; 41625_FLUKA; 274380_ALDRICH; c0237; methylsulfanylmethane; CHEBI:17437; Methanethiomethane; Methyl sulphide; dimethyl sulphide; 75-18-3; Methyl thioether; 4-01-00-01275 (Beilstein Handbook Reference); Methyl monosulfide; Methylthiomethyl radical; Exact-S; 471577_ALDRICH; W274623_ALDRICH; Sulfure de methyle [French]; ZINC06072460; dimethyl sulfide; C00580; 2-Thiopropane; Methylthiomethane; reduced dimethyl sulfoxide; Dimethyl monosulfide; Dimetyl sulfide; FEMA No. 2746; Methyl sulfide |
C2H6S |
62.13 |
CSC |
|
TCMBANKIN061957 |
1-Hydroxyanthraquinone |
1- hydroxyl-7hydroxymethylanthraquinone;
α-hydroxyanthraquinone;
Hydroxyanthraquinone |
C14H8O3 |
|
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O |
滇IICP备16009434号-1 |
Dai SX Lab