|
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 |
|
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 |
|
TCMBANKIN000152 |
eudesma-5,11(13)-dien-8,12-olide |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
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 |
|
TCMBANKIN000577 |
Phenylglucoside |
78554_FLUKA; AIDS-186138; BRN 0087517; (2R,3S,4S,5R,6S)-2-methylol-6-(phenoxy)tetrahydropyran-3,4,5-triol; 292710_ALDRICH; .beta.-D-Glucopyranoside, phenyl; EINECS 215-978-6; 62505-72-0; Phenyl beta-D-glucopyranoside; AIDS186138; 5-17-07-00046 (Beilstein Handbook Reference); C03097; Glucopyranoside, phenyl-, beta-D-; .beta.-D-Glucopyranoside, phenyl-; 1464-44-4; Phenyl beta-D-glucoside; Aryl beta-D-glucoside; 30370-91-3; Phenol glucoside; ZINC04096022; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)oxane-3,4,5-triol; beta-D-Glucopyranoside, phenyl; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)tetrahydropyran-3,4,5-triol; C11611 |
C12H16O6 |
256.25 |
C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN000673 |
dehydroaromadendrene |
dehydro-aromadendrene ; dehydroaromadenderene |
C15H24 |
204.35 g/mol |
CC1CCC2C1C3C(C3(C)C)CC=C2C |
|
TCMBANKIN000771 |
(3R)-3-hydroxy-5-phenyl-valeric acid |
(3R)-3-hydroxy-5-phenyl-pentanoic acid; (3R)-3-hydroxy-5-phenylpentanoic acid |
|
194.25 |
|
|
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 |
|
TCMBANKIN000846 |
ABK |
Dormin (VAN); NSC 148832; (+)-Abscisic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; BRN 2698956; 00012_FLUKA; NSC 146877; (S)-(+)-Abscisic acid; (S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid; C06082; (2Z,4E)-5-[(1S)-1-hydroxy-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; SMP2_000105; EINECS 244-319-5; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-; Abscisin II; Acide abscisique [French]; (7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid; CHEBI:2365; A4906_SIGMA; 21293-29-8; ()-Abscisic acid |
C15H20O4 |
264.32 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(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 |
|
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 |
|
TCMBANKIN000962 |
campesterol |
campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 |
C28H48O |
400.68 |
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
|
TCMBANKIN001063 |
Ethylcinnamate |
(E)-3-phenylacrylic acid ethyl ester; AI3-00667; W243019_ALDRICH; Ethyl cinnamate (natural); 112372_ALDRICH; Ethyl 3-phenyl-2-propenoate; NSC6773; FEMA No. 2430; Ethyl (2E)-3-phenyl-2-propenoate; ?ethylcinnamate ; Ethylcinnamoate; ethyl cinnamate; ethylcinnamate; Ethyl cinnamate; InChI=1/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8; 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-; BRN 1238804; EINECS 203-104-6; AIDS224200; NSC 6773; 2-Propenoic acid, 3-phenyl-, ethyl ester; Ethyl trans-cinnamate; Ethyl 3-phenylpropenoate; Cinnamic acid, ethyl ester; ethyl (2E)-3-phenylacrylate; Ethyl benzylideneacetate; WLN: 2OV1U1R; 3-Phenyl-2-propenoic acid, ethyl ester; Ethyl 3-phenylacrylate; ethyl (E)-3-phenylprop-2-enoate; CINNAMIC ACID,ETHYL ESTER; Cinnamic acid ethyl ester; W243000_ALDRICH; ethyl 3-phenylprop-2-enoate; 96350_FLUKA; C06359; 3-Phenyl-acrylic acid, ethyl ester; Ethyl beta-phenylacrylate; AIDS-224200; (E)-3-phenylprop-2-enoic acid ethyl ester; ZINC00896133; 3-phenylacrylic acid ethyl ester; 103-36-6; 3-phenylprop-2-enoic acid ethyl ester |
C11H12O2 |
176.21 |
CCOC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN001066 |
precatorine |
DTXSID90190126; AC1L4VVB; 3,5-dihydroxy-4-{[(1-methylpyridinium-3-yl)carbonyl]oxy}benzoate; CTK4H6976; 3-(4-CARBOXYLATO-2,6-DIHYDROXYPHENOXYCARBONYL)-1-METHYLPYRIDIN-1-IUM; Precatorine; 3,5-dihydroxy-4-(1-methylpyridin-1-ium-3-carbonyl)oxybenzoate; 3-((4-Carboxy-2,6-dihydroxyphenoxy)carbonyl)-1-methyl pyridinium, hydroxide, inner salt; 36675-57-7; alpha-N,N-Dimethyl-L-tryptophan; AC1Q60MP |
C14H11NO6 |
289.24 g/mol |
C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[O-])C(=O)O)O |
|
TCMBANKIN001075 |
1-hydroxy-7-hydroxymethylanthracenequinone |
|
|
254.25 |
|
|
TCMBANKIN001241 |
(-)-ABA |
(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid; InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7; (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (−)-cis,trans-Abscisic acid; (R)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid; (R)-abscisic acid; (7E,9Z)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid; (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid; (2Z,4E)-5-[(1R)-1-hydroxy-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid; (-)-Abscisic acid; CHEBI:28937; A8451_SIGMA; C11060; 2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-; (+)-2-cis,4-trans-abscisic acid |
C15H20O4 |
264.32 g/mol |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
|
TCMBANKIN001316 |
Aloesone |
2-acetonyl-7-hydroxy-5-methyl-chromen-4-one; 2-acetonyl-7-hydroxy-5-methyl-chromone; 2-acetonyl-7-hydroxy-5-methyl-4-chromenone; 7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one; aloesone |
C13H12O4 |
232.23 |
CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O |
|
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 |
|
|
TCMBANKIN001478 |
Riddelline |
riddelline |
C18H23NO6 |
349.38 |
CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O |
|
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 |
|
|
TCMBANKIN001557 |
[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol |
|
|
168.31 |
|
|
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 |
|
TCMBANKIN001638 |
Ioniceracetalides B_qt |
|
|
314.37 |
|
|
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 |
|
TCMBANKIN001794 |
(2R)-5,7-dihydroxy-2-phenylchroman-4-one |
TNP00071; NCGC00017205-01; ST024705; ZINC00004935; (2R)-5,7-dihydroxy-2-phenyl-chroman-4-one; NCGC00142377-01; (2R)-5,7-dihydroxy-2-phenyl-4-chromanone |
C15H12O4 |
256.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 |
|
TCMBANKIN001911 |
Encecalin |
CHEMBL451983; CHEBI:4789; NSC603929; C09005; 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl; 20628-09-5; encecalin; 4CN-1599; SCHEMBL4310132; WXVLCNREBFDEKS-UHFFFAOYSA-N; AKOS032948499; NSC-603929; 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone; ZINC897924; Isolated from Asteraceae plants; Encecaline; NSC 603929; 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone; ACon1_002222; 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone; Encecalin (methyleupatoriochromene); Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; W1949; AC1Q5GA2; 6-acetyl-7-methoxy-2,2-dimethylchromene; 1-(7-methoxy-2,2-dimethyl-6-chromenyl)ethanone; MolPort-001-742-371; AC1L3FTK; CTK8D7503; MEGxp0_001567; NP-009521; MCULE-1012949526 |
C14H16O3 |
232.27 |
CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)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 |
|
TCMBANKIN002154 |
7-O-Methylluteolin-6-C-beta-glucoside_qt |
|
|
318.3 |
|
|
TCMBANKIN002173 |
selina-4(14),7(11)-dien-8-one |
[selina-4(14),7(11)-dien-8-one] |
C15H22O |
218.33 |
CC(=C1CC2C(=C)CCCC2(CC1=O)C)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 |
|
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 |
|
TCMBANKIN002465 |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one |
BB_NC-1001; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; ZINC00001785 |
C15H12O5 |
272.25 |
|
|
TCMBANKIN002498 |
Dihydrobaicalin_qt |
|
|
272.27 |
|
|
TCMBANKIN002503 |
jioglutin D |
jioglutin d |
C11H18O6 |
246.26 g/mol |
COC1CC2C(C(O1)OC)C3(C(C2O)O3)CO |
|
TCMBANKIN002653 |
harpagoside_qt |
Harpagoside_qt |
|
332.38 |
|
|
TCMBANKIN002741 |
meranzin hydrate |
meranzinhydrate |
C15H18O5 |
278.3 |
CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O |
|
TCMBANKIN002755 |
vitexin_qt |
|
|
284.28 |
|
|
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 |
|
TCMBANKIN002879 |
arachidonic acid |
(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; 3435-81-2; 5Z,8Z,11Z,14Z-icosatetraenoic acid; cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; C00219; ACD; Arachidonsaeure; arachidonicacid; DTXSID40473870; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; ST069383; 93444-49-6; (14C)Arachidonic acid; NCGC00094608-04; 5,8,11,14-Eicosatetraenoic acid, labeled with carbon-14, (all-Z)-; A3555_SIGMA; 5Z,8Z,11Z,14Z-eicosatetraenoic acid; all-cis-5,8,11,14-eicosatetraenoic acid; IDI1_034009; ARACHIDONIC ACID, [1-14C]-; BSPBio_001539; NCGC00094608-02; NCGC00094608-03; AIDS045704; CHEBI:15843; NCGC00094608-01; (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid; cis-Delta(5,8,11,14)-eicosatetraenoic acid; A3925_SIGMA; ACM3435812; Spectrum5_001910; Arachidonic acid-carboxy-14C; A9673_SIGMA; LMFA01030001; AIDS-045704; 10931_FLUKA; <i>cis,cis,cis,cis</i>-5,8,11,14-Eicosatetraenoic Acid |
C20H32O2 |
304.5 g/mol |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
|
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 |
|
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 |
|
TCMBANKIN003054 |
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; ZINC03870264; 1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; 1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione |
C9H12N2O6 |
244.2 |
|
|
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 |
|
TCMBANKIN003124 |
Eudesma-4,6-dien-3-one |
(4aR)-7-isopropyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one; Eudesma-4,6-dien-3-one (.beta.-cyperone); (4aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one |
C15H22O |
218.33 g/mol |
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C |
|
TCMBANKIN003193 |
ent-Epicatechin |
AIDS026330; AIDS-026330; (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; (+)-Epicatechin; 35323-91-2; C09728; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-; ZINC00119978 |
C15H14O6 |
290.27 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
|
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 |
|
|
TCMBANKIN003409 |
Proglobeflowery acid |
proglobeflowery acid; 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid; 146367-85-3; 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid; Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)- |
C13H16O4 |
236.26 |
CC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C |
|
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 |
|
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 |
|
TCMBANKIN003601 |
Physcion-9-O-beta-D-glucopyranoside_qt |
|
|
300.28 |
|
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003749 |
furanoeudesma- 1,4-diene-6-one |
|
|
228.31 |
|
|
TCMBANKIN003777 |
neohesperidin_qt |
|
C28H34O15 |
610.56 |
|
|
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 |
|
TCMBANKIN003885 |
Sinapyl alcohol |
404586_ALDRICH; Sinapic alcohol; Phenol, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-; Sinapoyl alcohol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxy-phenol; 4-Hydroxy-3,5-dimethoxycinnamyl alcohol; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol; sinapyl alcohol; 537-33-7; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol; 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-; ST069367; CHEBI:28813; C02325; 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol; InChI=1/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3; Sinapyl alcohol, (E) |
C11H14O4 |
210.23 |
COC1=CC(=CC(=C1O)OC)C=CCO |
|
TCMBANKIN003902 |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one |
3-(2-keto-3-methyl-butyl)-4,8-dimethoxy-1-methyl-carbostyril; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxo-butyl)quinolin-2-one; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)-2-quinolinone |
|
303.39 |
|
|
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 |
|
|
TCMBANKIN003930 |
Chuanxiongol |
(1Z)-1-butylidene-8-hydroxyisochroman-4-one; 1-Butylidene-8-hydroxy-1H-2-benzopyran-4(3H)-one; (1Z)-1-butylidene-8-hydroxyisochromen-4-one; (1Z)-1-butylidene-8-hydroxy-isochroman-4-one; (1Z)-1-butylidene-8-hydroxy-4-isochromanone; AC1NSTKT; chuanxiongol |
C12H14O3 |
206.24 |
CCCC=C1C2=C(C=CC=C2O)C(=O)CO1 |
|
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 |
|
TCMBANKIN004032 |
Methoxyacetic acid,1-cyclopentylethyl ester |
|
C10H18O3 |
186.25 g/mol |
CC(C1CCCC1)OC(=O)COC |
|
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 |
|
TCMBANKIN004162 |
dehydroaromadendrane |
|
C15H24 |
204.35 |
|
|
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 |
|
|
TCMBANKIN004210 |
1-methoxy-2-hydroxyanthraquinone |
Anthraquinone, 2-hydroxy-1-methoxy-; Alizarin-1-methylether; 2-Hydroxy-1-methoxy-anthraquinone; AIDS098147; Alizarin-1-methyl ether; 2-hydroxy-1-methoxy-anthracene-9,10-dione; 9,10-Anthracenedione, 2-hydroxy-1-methoxy-; 2-hydroxy-1-methoxy-9,10-anthraquinone; 6170-06-5; Alizarin 1-methyl ether; AIDS-098147; 2-hydroxy-1-methoxyanthracene-9,10-dione |
C15H10O4 |
254.24 g/mol |
COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)O |
|
TCMBANKIN004284 |
methyl 3-o-caffeoylquinate |
|
|
368.37 |
|
|
TCMBANKIN004431 |
senkirkine |
|
C19H27NO6 |
365.42 |
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C |
|
TCMBANKIN004471 |
paederosidic acid methyl ester_qt |
|
|
316.36 |
|
|
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 |
|
TCMBANKIN004570 |
n-butyl-O-β-D-fruct opyranoside |
n-butyl-O-β-D-fructopyranoside |
|
222.27 |
|
|
TCMBANKIN004573 |
patchoulene |
Patchoulene |
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN004623 |
visamminol |
2,3-dihydro-4-hydroxy-2-7-methyl-5h-furo[3,2-g][1]benzopyran-5-one; 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one; AC1NSSV1; Visamminol; CTK8I8620; SCHEMBL15536844; 492-52-4; C17838 |
C15H16O5 |
276.28 |
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)O |
|
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 |
|
|
TCMBANKIN004782 |
(6S)-2-methyl-6-[(1R)-4-methyl-1-cyclohexa-2,4-dienyl]hept-2-en-4-one |
|
C15H22O |
218.33 |
|
|
TCMBANKIN004788 |
potassium salvianolate d |
|
|
418.38 |
|
|
TCMBANKIN004824 |
(Z)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one |
|
C15H12O5 |
272.25 |
|
|
TCMBANKIN004830 |
2-O-beta-D-glucopyranosyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one_qt |
|
|
180.15 |
|
|
TCMBANKIN004873 |
10,10-dimethyl-2,6-bis(methylene)-dicyclo[7.2.0]undecane |
(1S,9R)-10,10-dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane |
|
204.39 |
|
|
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 |
|
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 |
|
|
TCMBANKIN004942 |
Globeflowery acid |
4041-28-5; 8-methoxy-2,2-dimethylchroman-6-carboxylic acid; 8-methoxy-2,2-dimethyl-chroman-6-carboxylic acid; 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-8-methoxy-2,2-dimethyl-; 8-methoxy-2,2-dimethyl-6-chromancarboxylic acid |
C13H16O4 |
236.26 |
CC1(CCC2=C(O1)C(=CC(=C2)C(=O)O)OC)C |
|
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 |
|
|
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 |
|
|
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 |
|
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005365 |
indole-3-acetonitrile-6-o-β-D-glucopyranoside_qt |
|
|
172.2 |
|
|
TCMBANKIN005367 |
(4aS,7R)-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one |
(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one |
C15H20O |
216.32 |
|
|
TCMBANKIN005431 |
2-propenoic acid,3-(4'-hydroxyphenyl)-(4-carboxyl)-phenyl ester |
|
|
290.34 |
|
|
TCMBANKIN005454 |
α-turmerone |
|
C15H22O |
218.33 |
|
|
TCMBANKIN005528 |
methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate |
(Z)-3-(3,4,5-trimethoxyphenyl)acrylic acid methyl ester; (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid methyl ester; 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis |
C13H16O5 |
252.26 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC |
|
TCMBANKIN005553 |
2 - methyl - 3 - (2 - propenyl) - phenol |
|
|
148.22 |
|
|
TCMBANKIN005852 |
[(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl benzoate |
benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester; [(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-3-yl]methyl benzoate; benzoic acid [(3S,3aR,6S,7aR)-6-hydroxy-2,5-diketo-6-methyl-3a,4,7,7a-tetrahydro-3H-benzofuran-3-yl]methyl ester |
C17H18O6 |
318.32 |
CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O |
|
TCMBANKIN005938 |
Suffruticoside A_qt1 |
|
|
302.26 |
|
|
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 |
|
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 |
|
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 |
|
|
TCMBANKIN006220 |
alpha-Thymidine |
AIDS-064542; 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione; 4449-43-8; 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; NCIMech_000316; AIDS064542; 1-[(2S,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone; 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; 1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil |
C10H14N2O5 |
242.23 |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
|
TCMBANKIN006234 |
Dehydrovomifoliol |
15764-81-5; ZINC00057359; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone; C02533; dehydrovomifoliol; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
C13H18O3 |
222.28 |
CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C |
|
TCMBANKIN006575 |
Epi-bicyclosesauiphellandrene |
(+)-Epi-bicyclosesqulphellandrene |
C15H24 |
204.35 |
|
|
TCMBANKIN006642 |
[2-[1-(acetoxymethyl)vinyl]-5-methyl-phenyl] (E)-2-methylbut-2-enoate |
[2-(3-acetyloxyprop-1-en-2-yl)-5-methyl-phenyl] (E)-2-methylbut-2-enoate; [2-(3-acetyloxyprop-1-en-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate; (E)-2-methylbut-2-enoic acid [2-[1-(acetoxymethyl)vinyl]-5-methylphenyl] ester; acetic acid 2-[4-methyl-2-[(E)-2-methylbut-2-enoyl]oxy-phenyl]prop-2-enyl ester |
|
288.37 |
|
|
TCMBANKIN006711 |
sinapic acid |
A829376; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylate; ST5308240; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13; 85429_FLUKA; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-; 3,5-Dimethoxy-4-hydroxycinnamic acid; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; ZB005508; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-; C00482; sinapicacid; 49508_FLUKA; MLS001066354; Sinapic acid; SXX; 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; 3,5-dimethoxy-4-hydroxycinnamic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; trans-sinapate; AIDS024970; (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate; AC1NUT1R; NSC59261; (E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; CHEBI:30023; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; Synapoic acid; SINAPINATE; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 530-59-6; AIDS-024970; D7927_SIGMA; SMR000471879; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; CHEBI:15714; CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3; 7362-37-0; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3,5-dimethoxy-4-hydroxycinnamate; 4-hydroxy-3,5-dimethoxycinnamate |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
|
TCMBANKIN006735 |
Oleoside dimethyl ester_qt |
|
C18H26O11 |
418.39 |
|
|
TCMBANKIN006737 |
eugenyl-β-D-glucopyranoside(cirtrusinc) |
|
|
326.38 |
|
|
TCMBANKIN006769 |
1,6,7-Trihydroxy-3-methoxy-anthraquinone |
|
|
286.25 |
|
|
TCMBANKIN006846 |
khusilic acid |
|
C14H18O2 |
218.29 |
C=CC1CCC(=C)C2C1C=C(CC2)C(=O)O |
|
TCMBANKIN006879 |
isorhamnetin,3-glucoside_qt |
|
|
316.28 |
|
|
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 |
|
TCMBANKIN007092 |
glucuronic acid |
ZINC3869801; CHEBI:28860; glucuronicacid; C08350; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid; BDP; beta-D-Glucuronic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; GCU; BETA-D-GALACTOPYRANURONIC ACID; beta-L-Altropyranuronic acid; beta-D-Glucopyranuronic acid; SCHEMBL15596882; BIG1006 |
C6H10O7 |
194.14 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
|
TCMBANKIN007130 |
Coleoside B_qt |
|
|
314.37 |
|
|
TCMBANKIN007205 |
Ambrosin |
ambrosin |
C15H18O3 |
246.3 |
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C |
|
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 |
|
TCMBANKIN007287 |
sinodielides A |
|
|
232.35 |
|
|
TCMBANKIN007349 |
(3R,20S)-3,20-dihydroxydammar- 24-ene |
|
|
442.85 |
|
|
TCMBANKIN007392 |
Dmbc formate |
(2-methyl-1-phenyl-propan-2-yl) methanoate; (2-methyl-1-phenylpropan-2-yl) formate; 2-Benzyl-2-propyl formate; alpha,alpha-Dimethylphenethyl formate; 10058-43-2; Benzyl dimethyl carbinyl formate; formic acid (1,1-dimethyl-2-phenyl-ethyl) ester; Benzeneethanol, alpha,alpha-dimethyl-, formate; Dimethyl benzyl carbinyl formate; (1,1-dimethyl-2-phenyl-ethyl) formate; Phenethyl alcohol, alpha,alpha-dimethyl-, formate; alpha,alpha-Dimethylbenzeneethyl formate; FEMA No. 2395; formic acid (1,1-dimethyl-2-phenylethyl) ester |
C11H14O2 |
178.23 |
CC(C)(CC1=CC=CC=C1)OC=O |
|
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 |
|
TCMBANKIN007712 |
olibanumol,i |
|
|
428.77 |
|
|
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 |
|
TCMBANKIN007801 |
(2R)-3-oxo-2-phenylbutanenitrile |
ZINC00080804; (2R)-3-keto-2-phenyl-butyronitrile; (2R)-3-oxo-2-phenyl-butanenitrile |
C10H9NO |
159.18 |
|
|
TCMBANKIN007868 |
asperulosidic acid_qt |
|
C32H39NO7 |
549.65 |
|
|
TCMBANKIN007883 |
6-O-E-Feruloylajugol_qt |
|
|
362.41 |
|
|
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 |
|
TCMBANKIN008155 |
Bicyclo[3.3.0]octan-3-one, 7-ethylidene- |
|
C10H14O |
150.22 g/mol |
CC=C1CC2CC(=O)CC2C1 |
|
TCMBANKIN008270 |
(4-allyl-2,6-dimethoxy-phenyl) 3-methylbutanoate |
3-methylbutyric acid (4-allyl-2,6-dimethoxy-phenyl) ester; (2,6-dimethoxy-4-prop-2-enyl-phenyl) 3-methylbutanoate; 3-methylbutanoic acid (4-allyl-2,6-dimethoxyphenyl) ester; (2,6-dimethoxy-4-prop-2-enylphenyl) 3-methylbutanoate |
|
278.38 |
|
|
TCMBANKIN008304 |
11-hydroxy-sec-o-beta-d-glucosylhamaudol_qt |
|
|
292.31 |
|
|
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 |
|
TCMBANKIN008420 |
STOCK1N-58770 |
|
C16H18O9 |
354.31 |
|
|
TCMBANKIN008439 |
albiflorin_qt |
Albiflorin_qt |
C23H28O11 |
480.46 |
|
|
TCMBANKIN008451 |
norbellidifolin |
|
|
262.23 |
|
|
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 |
|
TCMBANKIN008455 |
MBP |
Monobutyl phthalate; 2-butoxycarbonylbenzoic acid; 2-(butoxy-oxomethyl)benzoic acid; 1,2-Benzenedicarboxylic acid, monobutyl ester; Phthalic acid, monobutyl ester; NSC8479; 2-(butoxycarbonyl)benzoic acid; Mono-n-butyl phthalate; 131-70-4; Mono-n-butyl-phthalate; BRN 2051402; NSC 8479; 34-74-2; EINECS 205-036-2; Butyl hydrogen phthalate; AI3-01768 |
C12H14O4 |
222.24 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)O |
|
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 |
|
|
TCMBANKIN008648 |
methyl,3-o-feruloylquinate |
|
|
366.4 |
|
|
TCMBANKIN008710 |
4-[(3R)-3-hydroxybutyl]phenol |
ZINC00506564 |
C10H14O2 |
166.22 |
CC(CCC1=CC=C(C=C1)O)O |
|
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 |
|
TCMBANKIN008751 |
Cherianoine |
7-hydroxy-6,8-dimethoxy-2-methyl-isoquinolin-1-one; 7-hydroxy-6,8-dimethoxy-2-methyl-isocarbostyril; 7-hydroxy-6,8-dimethoxy-2-methylisoquinolin-1-one; cherianoine; 7-hydroxy-6,8-dimethoxy-2-methyl-1-isoquinolinone; AC1NSTIB |
C12H13NO4 |
235.24 g/mol |
CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC |
|
TCMBANKIN008809 |
aurantio-obtusin,6-o-beta-d-glucoside_qt |
|
|
332.33 |
|
|
TCMBANKIN008994 |
(Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein |
(Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl), (Z)- |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=O |
|
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 |
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
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 |
|
TCMBANKIN009095 |
O-acetyl-β-boswellic acid |
|
|
498.82 |
|
|
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 |
|
|
TCMBANKIN009248 |
9alpha-Hydroxyfraxinellone |
(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; 3-Furan-3-yl-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one; 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-6-hydroxy-3a,7-dimethyl-, (3R,3aR,6R)-; (3R,3aR,6R)-3-furan-3-yl-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; rel-(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one; InChI=1/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12+,14-/m1/s; (-)-(3R,3aR,6R)-3-(3'-Furanyl)-3a,7-dimethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one |
C14H14O4 |
246.26 |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009629 |
tangshenoside I_qt |
|
C29H42O18 |
678.63 |
|
|
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 |
|
TCMBANKIN009903 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid_qt |
|
|
212.32 |
|
|
TCMBANKIN010003 |
(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid |
(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid |
C13H14N2O2 |
230.26 |
|
|
TCMBANKIN010191 |
Sulfoorientalol C |
[(4E)-1beta-Hydroxy-1-methyl-7-isopropyl-1,2,3,3aalpha,4,5,6,8abeta-octahydroazulene-4-ylidene]methanesulfonic acid; sulfoorientalol c |
C15H24O4S |
300.4 g/mol |
CC(C)C1=CC2C(CCC2(C)O)C(=CS(=O)(=O)O)CC1 |
|
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 |
|
|
TCMBANKIN010212 |
7-hydroxy-6-(2-hydroxyethyl)coumarin |
7-hydroxy-6-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-6-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
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 |
|
TCMBANKIN010447 |
[(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate |
(Z)-2-methylbut-2-enoic acid [(1R,2R)-2,3-dihydroxy-1-(2-keto-7-methoxy-chromen-6-yl)-3-methyl-butyl] ester; [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-chromen-6-yl)-3-methyl-butyl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-6-chromenyl)-3-methylbutyl] ester |
|
376.44 |
|
|
TCMBANKIN010448 |
shanzhiside methyl ester_qt |
|
|
244.27 |
|
|
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 |
|
TCMBANKIN010652 |
8-epiloganin_qt |
|
|
228.27 |
|
|
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 |
|
TCMBANKIN010876 |
uttroside a_qt |
8-O-acetyl shanzhiside methyl ester_qt |
C19H28O12 |
448.42 |
|
|
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 |
|
|
TCMBANKIN011028 |
desmodimiine |
|
|
237.28 |
|
|
TCMBANKIN011109 |
nootkatene |
|
C15H22 |
202.34 |
CC1CC=CC2=CCC(CC12C)C(=C)C |
|
TCMBANKIN011129 |
Z-Leu-OH |
Benzyloxycarbonylleucine; Benzyloxycarbonyl-L-leucine; CHEBI:28282; 521221_ALDRICH; Z-L-Leucine; (2S)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid; NSC 60039; C04335; N-Carbobenzyloxy-L-leucine; Carbobenzoxyleucine; N-((Phenylmethoxy)carbonyl)-L-leucine; N(alpha)-Benzyloxycarbonyl-L-leucine; 3-06-00-01503 (Beilstein Handbook Reference); ST5307194; N-Cbz-L-leucine; L-Leucine, N-((phenylmethoxy)carbonyl)- (9CI); (2S)-4-methyl-2-[[oxo-(phenylmethoxy)methyl]amino]pentanoic acid; N-Carbobenzoxy-L-leucine; Carbobenzoxy-L-leucine; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; L-N-Carboxyleucine N-benzyl ester; BRN 1253861; Leucine, N-carboxy-, N-benzyl ester, L-; N-Benzyloxycarbonyl-L-leucine; Carbobenzyloxy-L-leucine; N-Benzyloxycarbonylleucine; EINECS 217-960-3 |
C6H13NO2 |
131.17 |
CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
|
TCMBANKIN011194 |
mucic acid 1,4-lactone 3-0-gallate |
|
|
344.25 |
|
|
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 |
|
TCMBANKIN011423 |
(1R,4R,6S,8aR)-1-(3-furyl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one |
(1R,4R,6S,8aR)-1-furan-3-yl-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one |
|
278.33 |
|
|
TCMBANKIN011490 |
2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one |
|
|
327.32 |
|
|
TCMBANKIN011530 |
473-08-5 |
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-; (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; (4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone; (4aS,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
C15H22O |
218.33 |
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C |
|
TCMBANKIN011629 |
Isolapachol |
isolapachol |
C15H14O3 |
242.27 |
CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
|
TCMBANKIN011663 |
1,5,7-trihydroxy-6-methoxy-2-methoxymethylanthracenequinone |
|
|
330.31 |
|
|
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 |
|
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 |
|
TCMBANKIN011812 |
()-alpha-Funebrene |
47991_FLUKA; ()-1,7-Diepi-alpha-cedrene |
C15H24 |
204.35 |
|
|
TCMBANKIN011831 |
salicin |
Spectrum5_000971; (2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol; AI3-19099; NCGC00142605-01; Saligenin-beta-D-glucopyranoside; D-(−)-Salicin; B-D-Glucopyranoside, 2-(hydroxymethyl)phenyl; Spectrum4_001058; Spectrum3_000948; MEGxp0_000685; SDCCGMLS-0066698.P001; 2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside; ZINC155886; Salicoside; KBio3_002016; (2R,3S,4S,5R,6S)-2-methylol-6-(2-methylolphenoxy)tetrahydropyran-3,4,5-triol; beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl; KBio1_000030; Spectrum_001230; EINECS 205-331-6; Spectrum2_000756; 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol; DivK1c_000030; o-(Hydroxymethyl)phenyl beta-D-glucopyranoside; AC1OC2WD; KBioGR_001356; CHEBI:17814; KBio2_006846; SBB012498; IDI1_000030; 138-52-3; 30370-90-2; Saligenin beta-D-glucopyranoside; SPECTRUM1502255; SPBio_000772; 2-(hydroxymethyl)phenyl-beta-D-glucoside; NSC 5751; 2(hydroxymethyl)phenyl-beta-D-glucopyranoside; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol; ZINC03847505; C01451; S0625_SIGMA; alpha-Hydroxy-o-tolyl beta-D-glucopyranoside; Salicin (6CI,8CI); KBio2_001710; KBio2_004278; NINDS_000030; KBioSS_001710; ACon1_000373 |
C13H18O7 |
286.28 |
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O |
|
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 |
|
TCMBANKIN012015 |
beta-Bazzanene |
|
C15H24 |
204.35 |
CC1=CCC(CC1)(C)C2(CCCC2=C)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 |
|
|
TCMBANKIN012169 |
Glucobrassicin-1-Sulfonate_qt |
1-sulpho-3-indolylmethyl-glucosinolate_qt |
|
365.42 |
|
|
TCMBANKIN012291 |
n-butyl-α-D-fructopyranoside |
n butyl-α-D-fructopyranoside |
|
236.3 |
|
|
TCMBANKIN012341 |
3-β-D-glucopyranosyloxy-5-phenylvaleric acid |
|
|
356.41 |
|
|
TCMBANKIN012351 |
Schizonepetoside C_qt |
|
|
168.26 |
|
|
TCMBANKIN012507 |
dihydrokaempferide |
|
C16H14O6 |
302.28 |
COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
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 |
|
|
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 |
|
TCMBANKIN012855 |
Salireposide_qt |
|
C20H22O9 |
406.38 |
|
|
TCMBANKIN012944 |
kuraranine |
isokuraramine |
C12H18N2O2 |
222.28 |
|
|
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 |
|
TCMBANKIN013007 |
8-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-coumarin |
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2-chromenone; 18196-00-4; 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one; ZINC00338232; 8-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-chromen-2-one |
C16H20O6 |
308.33 |
CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O |
|
TCMBANKIN013042 |
cichorioside B_qt |
|
|
278.33 |
|
|
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 |
|
TCMBANKIN013149 |
1H-Cycloprop[e]azulene, 1a,2,3,4,6,7,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, (1aR,7R,7aS,7bR)- |
|
|
202.37 |
|
|
TCMBANKIN013389 |
Acetisoeugenol |
(2-methoxy-4-prop-1-enyl-phenyl) acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-; Isoeugenylacetate; acetic acid (2-methoxy-4-prop-1-enyl-phenyl) ester; 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate; SMR000105317; (2-methoxy-4-prop-1-enylphenyl) acetate; 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene; acetic acid (2-methoxy-4-prop-1-enylphenyl) ester; AI3-24267; WLN: 2U1R CO1 DOV1; 4-Acetoxy-3-methoxy-1-propenylbenzene; Isoeugenol acetate; MLS000563467; W247006_ALDRICH; 2-Methoxy-4-propenylphenyl acetate; Acetyl isoeugenol; 93-29-8; ZINC00393724; NSC 46121; (2-methoxy-4-prop-1-enyl-phenyl) ethanoate; 2-Methoxy-4-prop-1-enylphenyl acetate; ST5409307; FEMA No. 2470; acetic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester; Acetylisoeugenol; Isoeugenol, acetate; [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate; isoeugenyl acetate 1; [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ethanoate; EINECS 202-236-1; NSC46121; 2-Methoxy-4-(1-propenyl)phenyl acetate; Isoeugenyl acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate; Phenol, 2-methoxy-4-propenyl-, acetate |
C12H14O3 |
206.24 |
CC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN013489 |
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
SMR000156216; (8S)-8-(1-hydroxy-1-methyl-ethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)-; MLS000574835; 3804-70-4; (8S)-8-(1-hydroxy-1-methylethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
|
TCMBANKIN013493 |
deacetyl asperuloside acid_qt |
Deacetyl asperulosidic acid methyl ester_qt |
|
242.25 |
|
|
TCMBANKIN013522 |
Norlapachol |
NSC26696; AIDS-188140; 15297-99-1; 1,4-Naphthalenedione, 2-hydroxy-3-(2-methyl-1-propenyl)-; AIDS188140; 4-hydroxy-3-(2-methylprop-1-enyl)naphthalene-1,2-dione; 2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthoquinone; 4-hydroxy-3-(2-methylprop-1-enyl)-1,2-naphthoquinone; 1,4-Naphthoquinone, 2-hydroxy-3-(2-methylpropenyl)- |
C14H12O3 |
228.24 |
CC(=CC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
|
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 |
|
TCMBANKIN013598 |
Paniculatin |
SCHEMBL4742129; paniculatin; LMPK12050162 |
C27H30O15 |
594.5 g/mol |
C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
|
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 |
|
TCMBANKIN013707 |
(R)-2-(3,4-dihydroxyphenyl)-6,7-dihydroxybenzofuran-3(2H)-one |
|
|
274.24 |
|
|
TCMBANKIN013847 |
quercetin 7-O-β-D-glucoside |
|
|
462.44 |
|
|
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 |
|
|
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 |
|
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 |
|
TCMBANKIN014382 |
1-methoxyacetylshikonin |
|
C19H20O6 |
344.36 |
|
|
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 |
|
|
TCMBANKIN014524 |
gossypetin |
C-19555; CC-29066; 2-[3,4-bis(oxidanyl)phenyl]-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113231; 3,3',4',5,7,8-Hexahydroxyflavone; SCHEMBL157033; BSPBio_002552; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one; YRRAGUMVDQQZIY-UHFFFAOYSA-N; Articulatidin; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one; NCGC00178604-01; SR-05000002577-1; ST059622; CHEBI:16400; Gossypetin; MCULE-3233813708; BDBM26655; 489-35-0; SR-05000002577; VA11031; SET4M23ZTM; FT-0632211; C04109; BRD-K06692906-001-01-6; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromone; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one; 3,5,7,8,3',4'-Hexahydroxyflavone; BP-10444; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-; CHEMBL253570; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-; SPECTRUM1505143; PubChem9855; A827629; 9464AF; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-1-benzopyran-4-one; DTXSID50197631; ZINC6525297; UNII-SET4M23ZTM; AKOS024283047; NCGC00096031-02; AC1NQXCW; NCGC00096031-01; MFCD00017680; CCG-231029; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one #; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one; 2-(3,4-Dihydroxy-phenyl)-3,5,7,8-tetrahydroxy-chromen-4-one; D0Z7EL; Equisporol |
C15H10O8 |
318.24 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O |
|
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-] |
|
TCMBANKIN014671 |
miltionone Ⅰ |
|
312.39 |
49.684394 |
|
|
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 |
|
|
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 |
|
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 |
|
|
TCMBANKIN014926 |
Xyloidone |
NSC 629748; Dehydro-.alpha.-lapachone; Xyloidone (VAN); 2H-Naphtho[2,3-b]pyran-5,10-dione, 2,2-dimethyl-; 2,2-dimethylbenzo[g]chromene-5,10-dione; 2,2-dimethylbenzo[g]chromene-5,10-quinone; AIDS014802; AIDS-014802; alpha-Lapachone, dehydro-; ZINC00338411; Dehydro-.alpha.-lapacone; NSC629748; 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl- (8CI)(9CI); Dehydro-alpha-lapachone; 2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione; 15297-92-4; NSC 106453; Dehydrolapachone; .alpha.-Lapachone, dehydro-; Dehydro-alpha-lapachol; Dehydro-alpha-lapacone; DEHYDROPLAPACHONE; Dehydro-.alpha.-lapachol; NSC106453 |
C15H12O3 |
240.25 |
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=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 |
|
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 |
|
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 |
|
TCMBANKIN015327 |
(1R,4S,6R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one |
(1R,4S,6R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)-7-oxabicyclo[4.1.0]heptan-2-one; (1R,4S,6R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)-7-oxabicyclo[4.1.0]heptan-2-one |
|
234.37 |
|
|
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 |
|
TCMBANKIN015423 |
Allopseudococain |
Allo-psi-cocaine; methyl (1R,2S,3R,5S)-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate; methyl (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; (1R,2S,3R,5S)-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 518-97-8; InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H; 1alphaH,5alphaH-Tropane-2alpha-carboxylic acid, 3alpha-hydroxy-, methyl ester, benzoate (ester) (8CI); Pseudoallococaine; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)- (9CI); (R)-Allopseudococaine; methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)-; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester; Allopseudococaine (6CI); (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(endo,endo)]- |
C17H21NO4 |
303.35 |
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
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 |
|
TCMBANKIN015557 |
9-ethyl-neo-paeoniaflorin A_qt |
|
|
334.4 |
|
|
TCMBANKIN015606 |
cnidimol F |
cnidimol f |
C15H14O6 |
290.27 |
|
|
TCMBANKIN015632 |
forsythidmethylester_qt |
|
|
242.25 |
|
|
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 |
|
|
TCMBANKIN015800 |
(2R,5S)-5-methyl-2-[(E)-1-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-vinyl]cyclohexan-1-one |
(2R,5S)-5-methyl-2-[(E)-1-methyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]vinyl]-1-cyclohexanone; (2R,5S)-5-methyl-2-[(E)-1-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-vinyl]cyclohexan-1-one; (2R,5S)-5-methyl-2-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]cyclohexan-1-one |
|
330.42 |
|
|
TCMBANKIN015837 |
1-Oxaspiro[2.5]octan-4-one, 5,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [3a,5b(Z)]- |
|
|
236.34 |
|
|
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 |
|
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 |
|
TCMBANKIN016023 |
1-(2,4-dihydroxy-6-methoxyphenyl)ethanone |
1-(2,4-dihydroxy-6-methoxy-phenyl)ethanone |
C9H10O4 |
182.17 g/mol |
CC(=O)C1=C(C=C(C=C1OC)O)O |
|
TCMBANKIN016027 |
Swertianin |
LS-162497; AX8245763; 9H-Xanthen-9-one, 1,2,8-trihydroxy-6-methoxy-; BDBM50155435; 6-Methoxy-1,2,8-trihydroxyxanthen-9-one; C10092; UNII-890WXQ4KC0; ST24036670; CHEMBL187044; 1,2,8-Trihydroxy-6-methoxy-9H-xanthen-9-one; KB-216271; FT-0697995; AKOS016010617; 890WXQ4KC0; AK120347; 20882-75-1; 1,2,8-trihydroxy-6-methoxy-xanthen-9-one; AC1NQYU7; NSC 289490; Xanthen-9-one, 6-methoxy-1,2,8-trihydroxy-; 4CH-024750; BG01566899; swertianin; NSC-289490; SWERTIANINE; BG01566898; BRN 1351024; 1,2,8-Trihydroxy-6-methoxy-xanthen-9-one; 1,7,8-trihydroxy-3-methoxyxanthone; AJ-55459; CHEBI:9371; ZINC5998778; Gentiakochianin; 0679AB; ST077131; 1,2,8-trihydroxy-6-methoxyxanthen-9-one; Q-100263; NSC289490; DTXSID60174998; 1,2,8-trihydroxy-6-methoxy-9-xanthenone; 1,2,8-trihydroxy-6-methoxy-xanthone; 1,2,8-Trihydroxy-6-methoxyxanthone; 5-18-05-00186 (Beilstein Handbook Reference); 9H-Xanthen-9-one, 1,2,8-trihydroxy-6-methoxy- (9CI) |
C14H10O6 |
274.23 |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)O)O |
|
TCMBANKIN016115 |
4,5,9,10-Dehydro-isolongifolene |
|
|
200.35 |
|
|
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 |
|
TCMBANKIN016251 |
CCRIS 1712 |
33118-34-2; (1S,4aR,8aR)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxaldehyde; (1S,4aR,8aR)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde |
C15H22O2 |
234.33 |
CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C |
|
TCMBANKIN016355 |
()-Sativene |
84590_FLUKA |
C15H24 |
204.35 |
|
|
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 |
|
|
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 |
|
TCMBANKIN016484 |
isorhamnetin3-O-D-glucopyranoside_qt |
|
|
318.3 |
|
|
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 |
|
TCMBANKIN016615 |
Etilevodopa |
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid ethyl ester; TV-1203; 37178-37-3; ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Levodopa ethyl ester; (-)-3,4-Dihydroxy-L-phenylalanine, ethyl ester; D04097; Etilevodopa [USAN:INN]; Etilevodopa (USAN); L-Dopa ethyl ester; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid ethyl ester |
C11H15NO4 |
225.24 |
CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N |
|
TCMBANKIN016662 |
(1R,3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[7,6-d]furan-2,8-dione |
(1R,3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[7,6-d]furan-2,8-quinone |
|
266.37 |
|
|
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 |
|
TCMBANKIN016810 |
(R)-2,6-dihydroxy-2-(4-hydroxybenzyl)-4-methoxybenzofuran-3(2H)-one |
|
|
302.3 |
|
|
TCMBANKIN017096 |
cichoriin |
Cichorioside; 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-hydroxy-; C09206; 6-Hydroxyskimmin; 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; SCHEMBL13784420; 7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one; AC1NOIO3; 6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 6-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; 531-58-8; 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; Cichoriin |
C15H16O9 |
340.28 g/mol |
C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN017178 |
Boc-D-Trp-OH |
(2R)-2-[(tert-butoxy-oxomethyl)amino]-3-(1H-indol-3-yl)propanoic acid; ST5307211; 15185_FLUKA; EINECS 226-042-1; Nalpha-Boc-D-tryptophan; N-((tert-Butoxy)carbonyl)-D-tryptophan; (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; (2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid; (2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid |
C16H20N2O4 |
304.34 |
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O |
|
TCMBANKIN017206 |
plantagoguanidinic,acid |
|
|
225.33 |
|
|
TCMBANKIN017257 |
3,11-dioxo-19α-hydroxyurs-12-en-28-oic acid |
|
|
484.74 |
|
|
TCMBANKIN017267 |
inulicin |
AC1L9CIK; 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate; monoacetylbritannilactone; CHEBI:5942; Inulicin; C09483 |
C17H24O5 |
308.37 |
CC1C(C2C(CC(=C1CCCOC(=O)C)C)OC(=O)C2=C)O |
|
TCMBANKIN017274 |
Daturametelamdie A |
|
|
277.35 |
|
|
TCMBANKIN017281 |
(1R,4S,6R,8aR)-1-(3-furyl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one |
(1R,4S,6R,8aR)-1-furan-3-yl-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one |
|
278.33 |
|
|
TCMBANKIN017319 |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyldecalin-1,8a-diol |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-1,8a-diol; (1S,4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol |
C15H26O2 |
238.37 |
|
|
TCMBANKIN017339 |
Sesamoside_qt |
|
C17H24O12 |
420.37 |
|
|
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 |
|
TCMBANKIN017396 |
scandoside_qt |
scandoside methyl ester_qt; Scandoside_qt; Scandoside methyl ester_qt; DEACETYLASPERULOSIDICACID_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN017403 |
alpinolide peroxide |
|
C15H22O5 |
282.33 |
|
|
TCMBANKIN017538 |
2-(2,3,4-trihydroxyphenyl)acetonitrile |
2-(2,3,4-trihydroxyphenyl)ethanenitrile |
|
165.16 |
|
|
TCMBANKIN017576 |
Alkannan |
5,8-dihydroxy-2-isohexylnaphthalene-1,4-dione; ZINC13335177; alkannan; 517-90-8; DTXSID90199654; FZS19WML2L; UNII-FZS19WML2L; 5,8-dihydroxy-2-isohexyl-1,4-naphthoquinone; SCHEMBL12810826; ACM517908; 5,8-dihydroxy-2-isohexyl-naphthalene-1,4-dione; AC1NSVEV; 5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione |
C16H18O4 |
274.31 |
CC(C)CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN017610 |
Carpesia lactone |
carpesia lactone |
C15H20O3 |
248.32 g/mol |
CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C |
|
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 |
|
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 |
|
TCMBANKIN017935 |
S(-)-Secobarbital |
5-allyl-5-[(1S)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione; 5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione; 20224-45-7; BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (S)-(-)-; S(-)-5-Allyl-5-(1-methylbutyl)-barbituric acid; 5-allyl-5-[(1S)-1-methylbutyl]barbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (S)- (9CI) |
C12H18N2O3 |
238.28 |
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|
TCMBANKIN018044 |
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione |
|
|
354.38 |
|
|
TCMBANKIN018220 |
(9aS,9bR)-3,6,9-trimethyl-5,7,9a,9b-tetrahydro-4H-azuleno[5,4-d]furan-2-one |
|
|
230.33 |
|
|
TCMBANKIN018253 |
icarside E5_qt |
|
C26H34O11 |
522.54 |
|
|
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 |
|
TCMBANKIN018394 |
Loniceracetalide A_qt |
|
|
298.37 |
|
|
TCMBANKIN018463 |
1,3- dihydroxy-3-methylanthraquinone |
|
|
254.25 |
|
|
TCMBANKIN018516 |
mucic acid-2-O-gallate |
mucic acid 2-0-gallate |
|
376.3 |
|
|
TCMBANKIN018521 |
loroglossin_qt |
|
C34H46O18 |
742.72 |
|
|
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 |
|
TCMBANKIN018721 |
3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-carbostyril |
3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one; 3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-quinolin-2-one; 2(1H)-Quinolinone, 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-, (R)-; 27495-36-9; 3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methyl-2-quinolinone |
C16H21NO4 |
291.34 |
CC(C)(C(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)O)O |
|
TCMBANKIN018778 |
MYF |
Spectrum4_001678; Spectrum2_000741; Spectrum_001591; BSPBio_003253; KBio2_004639; KBioGR_002235; KBio1_001866; KBio2_002071; SDCCGMLS-0066804.P001; 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; Tricetin; Spectrum3_001617; KBio3_002473; 520-31-0; 5,7,3',4',5'-Pentahydroxyflavone; SPBio_000722; Spectrum5_000615; DivK1c_006922; 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; SPECTRUM1504115; KBioSS_002071; 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; ST5309243; NCGC00095682-01; KBio2_007207; SpecPlus_000826; C10192 |
C15H10O7 |
302.24 |
C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN018847 |
methyl (2S)-2-dimethylamino-3-(1H-indol-3-yl)propanoate |
(2S)-2-dimethylamino-3-(1H-indol-3-yl)propanoic acid methyl ester; (2S)-2-dimethylamino-3-(1H-indol-3-yl)propionic acid methyl ester |
C14H18N2O2 |
246.3 |
|
|
TCMBANKIN018850 |
ZINC00394284 |
|
C10H14O4 |
198.22 |
|
|
TCMBANKIN019163 |
(Z)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one |
(Z)-1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one |
|
240.27 |
|
|
TCMBANKIN019187 |
Tricyclo[4.3.1.12,5]undec-3-en-10-ol, 3-(1-methylethyl)-, (1R,2S,5S,6S,10R)-rel- |
|
|
206.36 |
|
|
TCMBANKIN019189 |
Lactucin |
lactucin |
C15H16O5 |
276.28 |
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
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 |
|
TCMBANKIN019290 |
7-Demethylsuberosin |
BEN267; 7-demethylsuberosin; UNII-SDM71QIW25; 7-hydroxy-6-prenyl-1-benzopyran-2-one; 9336AF; CHEBI:69042; CHEMBL502689; DTXSID90175695; 21422-04-8; SDM71QIW25; MolPort-001-742-280; AKOS028111784; Demethylsuberosin; 7-hydroxy-6-(3-methylbut-2-enyl)coumarin; MCULE-4721059845; ZINC12153561; 7-hydroxy-6-(3-methylbut-2-enyl)-2-chromenone; 2H-1-Benzopyran-2-one,7-hydroxy-6-(3-methyl-2-buten-1-yl)-; 6-(3,3-dimethylallyl)-7-hydroxycoumarin; SCHEMBL4773171; C18083; MEGxp0_001461; 7-hydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; 7-demethylsuberosine; NP-008276; BDBM50292574; AC1NSUCZ; 7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one; 7-hydroxy-6-prenylcoumarin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-butenyl)-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-buten-1-yl)- |
C14H14O3 |
230.26 |
CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C |
|
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 |
|
|
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 |
|
|
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 |
|
TCMBANKIN019783 |
(3R)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid |
STOCK1N-01941; (3R)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid |
|
216.26 |
|
|
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 |
|
TCMBANKIN019913 |
dl-3n-butylphthalide |
(3R)-3-butyl-3H-isobenzofuran-1-one; (3R)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN019917 |
1H-benzocycloheptene,2,4a,5,6,7,8,9,9a-octahydro-3,3,5-trimethyl-9-methylene-,(4aS-cis)- |
|
|
205.4 |
|
|
TCMBANKIN019953 |
lanceol |
|
C15H24O |
220.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)CO |
|
TCMBANKIN020062 |
1,2-Benzenedicarboxylicacid, mono(2-ethyl) hexylester |
1,2-Benzenedicarboxylic acid,mono[2-ethylhexyl] ester |
|
278.38 |
|
|
TCMBANKIN020175 |
methyl calvatate |
AC1NSY94; cyanoimino-(4-methoxycarbonylphenyl)-oxidoazanium |
C9H7N3O3 |
205.19 |
COC(=O)C1=CC=C(C=C1)[N+](=NC#N)[O-] |
|
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 |
|
|
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 |
|
TCMBANKIN020604 |
Gibberellin A44 |
C12308; LMPR01040090 |
C20H26O5 |
346.42 |
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O |
|
TCMBANKIN020620 |
10-Hydroxyoleoside dimethyl ester_qt |
|
|
272.28 |
|
|
TCMBANKIN020625 |
L-uridine |
|
C9H12N2O6 |
244.2 |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |
|
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 |
|
|
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 |
|
TCMBANKIN020798 |
(8S,9R)-9-hydroxy-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
(8S,9R)-9-hydroxy-8-(1-hydroxy-1-methylethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one; (8S,9R)-9-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
C20H24O10 |
424.4 |
|
|
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 |
|
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 |
|
TCMBANKIN020961 |
morin |
SMR000058259; C.I. Natural Yellow 8; NCGC00015672-12; KBioGR_002268; 480-16-0; SPBio_000929; 8NFQ3F76WR; 5-18-05-00492 (Beilstein Handbook Reference); NCGC00022214-05; ZINC03881558; BDBM26658; DivK1c_000958; Zlut prirodni 11; NCGC00178000-02; morin ; NCGC00022214-03; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #; NCI60_001647; NCGC00015672-04; ST50308676; Morin; X1189; MCULE-2387347344; 3,7,2',4'-Pentahydroxyflavone; Zlut prirodni 11 [Czech]; NCGC00015672-09; 2',3,4',5,7-Pentahydroxy-Flavone; AX8140380; C10105; HMS3262K14; NCGC00015672-02; Bio-0589; CTK5B4214; ZX-AT022489; Bois d'arc; NCGC00015672-05; 2',4',5,7-Tetrahydroxyflavonol; 4CH-024478; BRD-K11590034-001-01-0; LMPK12112517; Tox21_500776; NCGC00015672-10; SC-44859; Lopac-M-4008; 2',4',5, 7-Tetrahydroxyflavan-3-ol; A-9317; BC684344; KBio2_004282; BG01594705; Al-Morin; regid855692; C.I. 75660; KBio2_006850; Spectrum_001234; D0NJ4H; C.I. Natural Yellow 11 (VAN); HMS502P20; 3,5 7 2 4-Pentahydroxyflavone; LS-69029; C.I. Natural Yellow 11; Aurantica; EINECS 207-542-9; ZINC3881558; C.I.Natural Yellow 8; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9CI; KBio1_000958; Bois d,Arc; C15H10O7; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; CHEMBL28626; FT-0628989; Morin hydrate; 2',3,4',5,7-pentahydroxy flavone; NSC19801; Aluminum Ionophore I; Spectrum5_000737; DTXSID1022398; 2',4',5,7-Pentahydroxyflavone; UNII-8NFQ3F76WR; 69870_FLUKA; MLS006012034; AC1NQYUY; 3,5,7,2',4'-Pentahydroxyflavone; LP00776; 4H-1-Benzopyran-4-one, 2-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-; Spectrum4_001924; Toxylon Pomiferum; NCGC00015672-13; Osage Orange; Bois d'arc [French]; AI3-38057; BSPBio_003541; NCGC00015672-08; NCGC00022214-07; ST24039108; BRN 0327474; SR-01000000157-7; Osage Orange Crystals; MLS000069618; GTPL411; KB-220543; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; SBB008853; IDI1_000958; CHEBI:75092; KBio2_001714; KBio3_002824; 2',3,5,7-Pentahydroxyflavone; I14-19447; Osage Orange Extract; 3,5,7,2',4'-Pentahydroxyflavonol; 2',4',3,5,7-Pentahydroxyflavone; MolPort-001-742-584; 2'-Hydroxypelargidenolon 1522; SPECTRUM1502259; AN-23488; NSC-19801; Lopac0_000776; SR-01000000157-2; M-8200; AK111274; Spectrum3_001941; NCGC00178000-01; Aluminum Ionophore I, Selectophore(TM), function tested; AIDS001407; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; KBioSS_001714; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; cid_5281670; SMP1_000199; M 4008; NCGC00015672-06; Spectrum2_000715; SR-01000000157-6; MFCD00006826; AJ-46640; NCGC00022214-06; NSC 19801; I14-114104; SCHEMBL19984; 2',3,4',5,7-Pentahydroxyflavone; CCRIS 8680; ACon1_000260; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-; NCGC00015672-07; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one; MEGxp0_001864; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromenone; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-,monohydrate; NCGC00022214-04; EU-0100776; NCGC00261461-01; P0041; Flavone,3,4',5,7-pentahydroxy-; 91A9D69E-FAB0-45CD-90E5-DEEFBADE86C1; HMS1921P12; AIDS-001407; NCGC00015672-11; BIDD:ER0115; 2',4',5,7-Tetrahydroxyflavan-3-ol; Bois d'Arc; 11128-85-1; AKOS001582671; NINDS_000958; NCGC00015672-03; Flavone, 2',3,4',5,7-pentahydroxy-; Calico Yellow; 2',5,7-Tetrahydroxyflavan-3-ol; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; SDCCGMLS-0003296.P003; CCG-39036; NCGC00015672-14; NCGC00015672-01; SR-01000000157; Morin, p.a., 97.0%; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone; MORIN, REAG; YXOLAZRVSSWPPT-UHFFFAOYSA-N |
C15H10O7 |
302.24 |
C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN020999 |
3-isopropyl-6-isobutyl-2,5-piperazinedione |
|
C11H20N2O2 |
212.29 |
|
|
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 |
|
TCMBANKIN021067 |
(2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one |
(2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone |
C15H12O6 |
288.25 |
|
|
TCMBANKIN021087 |
beta-Irone |
|
C14H22O |
206.32 |
CC1CCC(=C(C1(C)C)C=CC(=O)C)C |
|
TCMBANKIN021122 |
sedanoic-acid |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN021284 |
alpha-D-glucuronic acid |
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; alpha-D-glucopyranuronic acid; CHEBI:42717; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid |
C48H74O20 |
971.09 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
|
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 |
|
TCMBANKIN021647 |
divaricataester,a |
|
|
264.3 |
|
|
TCMBANKIN021683 |
4-allyl-2-meth-oxyphenyl 2-methylbutanoate |
|
|
248.35 |
|
|
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 |
|
TCMBANKIN021718 |
cabraleadiol |
|
C30H52O3 |
460.73 |
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C |
|
TCMBANKIN021797 |
Codonopsine |
codonopsine; C10137; AC1L9D48; (2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol; CHEBI:3805; NCGC00160242-01; DTXSID60331887; 26989-20-8; (2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethyl-pyrrolidine-3,4-diol; STOCK1N-18670 |
C14H21NO4 |
267.32 |
CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O |
|
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 |
|
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 |
|
TCMBANKIN022074 |
3-Methoxy-4-propoxybenzaldehyde |
57695-98-4; 3-methoxy-4-propoxy-benzaldehyde; ZINC01793726; SBB000330 |
C11H14O3 |
194.23 |
CCCOC1=C(C=C(C=C1)C=O)OC |
|
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 |
|
TCMBANKIN022213 |
(2R,3S)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol |
|
|
290.29 |
|
|
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 |
|
TCMBANKIN022354 |
Quercetin-3-L-arabinon-7-D-glucoside_qt |
|
|
390.32 |
|
|
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 |
|
|
TCMBANKIN022760 |
erythrosyringoylglycerol 8-O-β-D-glucoside |
|
|
392.4 |
|
|
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 |
|
TCMBANKIN022938 |
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
(2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester; [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester |
C15H25NO5 |
299.36 |
|
|
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 |
|
TCMBANKIN023319 |
nchembio875-comp6 |
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]acrylic acid; 2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid |
C15H22O2 |
234.33 |
CC=C1CCC2C(C1)C(CCC2=CC)CC(=O)O |
|
TCMBANKIN023346 |
Cedrene-V6 |
|
C15H24 |
204.35 g/mol |
CC1=C2CCC(C2CCC1(C)C)(C)C=C |
|
TCMBANKIN023387 |
(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,7,8-triol |
|
|
290.29 |
|
|
TCMBANKIN023497 |
e-nuciferol |
|
|
218.37 |
|
|
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 |
|
TCMBANKIN024138 |
Nordamnacanthal |
2-Anthracenecarboxaldehyde, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-; AIDS098139; AIDS-098139; 1,3-dihydroxy-9,10-dioxo-anthracene-2-carbaldehyde; nordamnacanthal; 1,3-dihydroxy-9,10-dioxo-2-anthracenecarboxaldehyde; nordamnacanthal ; 1,3-dihydroxy-9,10-diketo-anthracene-2-carbaldehyde; CCRIS 6442; 3736-59-2; 1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde |
C15H8O5 |
268.22 |
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C=O)O |
|
TCMBANKIN024207 |
4,6,7-trimethoxy-5-methyl-2H-chromen-2-one |
|
C13H14O5 |
250.25 g/mol |
CC1=C2C(=CC(=C1OC)OC)OC(=O)C=C2OC |
|
TCMBANKIN024318 |
9H-xanthene-2-carboxylic acid |
|
C16H12O8 |
332.26 |
C1C2=CC=CC=C2OC3=C1C=C(C=C3)C(=O)O |
|
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 |
|
TCMBANKIN024559 |
9-hydroxythymol |
|
C10H14O2 |
166.22 g/mol |
CC1=CC(=C(C=C1)C(C)CO)O |
|
TCMBANKIN024779 |
regaloside E_qt |
|
C20H26O12 |
458.41 |
|
|
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 |
|
TCMBANKIN024941 |
paeonin,b_qt |
|
|
196.22 |
|
|
TCMBANKIN024946 |
sesquicineole |
|
C15H26O |
222.37 g/mol |
CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
|
TCMBANKIN025118 |
3S,5R-dihydroxy -6R,7-megstigmadien-9-one |
|
|
224.33 |
|
|
TCMBANKIN025145 |
poriol |
|
C16H14O5 |
286.28 |
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN025169 |
Garbanzol |
1226-22-8; SCHEMBL9663852; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; AC1MR5CU; C09751; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; 3,7,4'-Trihydroxyflavanone; garbanzol; 3,7,4'-Trihydroxyflavanon; 3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; 3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; (2R,3R)-3,4',7-Trihydroxyflavanone |
C15H12O5 |
272.25 |
C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O |
|
TCMBANKIN025200 |
(2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one |
ZINC00519174; (2R)-7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone |
C15H12O4 |
256.25 |
|
|
TCMBANKIN025248 |
paeonoside |
20309-70-0; Paeonoside; kaempferol-3,7-di-O-beta-D-glucoside |
C27H30O16 |
610.52 |
CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN025327 |
melampyroside_qt |
|
C22H26O10 |
450.44 |
|
|
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 |
|
TCMBANKIN025532 |
methyl 2-pentanoylbenzoate |
2-valerylbenzoic acid methyl ester; 2-(1-oxopentyl)benzoic acid methyl ester |
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN025569 |
pedatisectine f |
|
C9H14N2O4 |
214.22 g/mol |
CC1=CN=CC(=N1)C(C(C(CO)O)O)O |
|
TCMBANKIN025570 |
9-oxo-4-xanthenecarboxylic acid |
AIDS070074; 9-ketoxanthene-4-carboxylic acid; 9-Oxoxanthene-4-carboxylic acid; AIDS-070074 |
C14H8O4 |
240.21 g/mol |
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)O |
|
TCMBANKIN025598 |
wilsonic acid |
|
|
187.21 |
|
|
TCMBANKIN025794 |
2,2-dimethylchroman-6-carboxylic acid |
2,2-dimethyl-6-chromancarboxylic acid; NSC106255; NSC7291; 2039-47-6 |
C12H14O3 |
206.24 |
CC1(CCC2=C(O1)C=CC(=C2)C(=O)O)C |
|
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 |
|
TCMBANKIN026023 |
2,4-dihydroxy-5-methoxybenzophenone |
2,4-dihydroxy-5-methoxy-benzo-phenone |
C14H12O4 |
244.24 g/mol |
COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O |
|
TCMBANKIN026030 |
L-malic acid 2-0-gallate |
|
|
300.24 |
|
|
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 |
|
|
TCMBANKIN026104 |
Ipolamiide_qt |
|
C17H26O11 |
406.38 |
|
|
TCMBANKIN026109 |
(3S)-3-butyl-3H-isobenzofuran-1-one |
(3S)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN026137 |
shionoside B_qt |
|
|
240.33 |
|
|
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 |
|
|
TCMBANKIN026248 |
kaempferol-3-O-α-L-rhamnoside_qt |
|
|
288.27 |
|
|
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 |
|
|
TCMBANKIN026491 |
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol |
|
|
306.29 |
|
|
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 |
|
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 |
|
|
TCMBANKIN026782 |
dichotomoside,e_qt |
|
|
252.34 |
|
|
TCMBANKIN026880 |
Boc-D-Tyr-OH |
(2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid; ST5307213; (2R)-2-[(tert-butoxy-oxomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid; 15187_FLUKA; Boc-D-tyrosine; (2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid; (2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
C9H11NO3 |
181.19 |
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
|
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 |
|
TCMBANKIN027040 |
anisodamine |
BC209832; AKOS015962158; Anisodamine |
C17H23NO4 |
305.37 |
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
|
TCMBANKIN027054 |
mucic acid 1,4-lactone 2-0-gallate |
|
|
358.28 |
|
|
TCMBANKIN027083 |
Isatidine |
isatidine |
C18H25NO6 |
351.39 |
CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C |
|
TCMBANKIN027150 |
BDF |
Fructose, pyranose form; (2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; CHEBI:41005; Frutabs; 7660-25-5; (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; ZINC03861095; Fructopyranose, beta-D-; beta-D-Fructopyranose; HSDB 526; BRN 1423189; 4-01-00-04402 (Beilstein Handbook Reference); (2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol |
C6H12O6 |
180.16 |
C1C(C(C(C(O1)(CO)O)O)O)O |
|
TCMBANKIN027226 |
Lunularic acid |
23255-59-6; Benzoic acid, 2-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-; lunularicacid; 2-Hydroxy-6-(2-(4-hydroxyphenyl)ethyl)benzoic acid; 2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]benzoic acid; lunularic acid; C10268 |
C15H14O4 |
258.27 |
C1=CC(=C(C(=C1)O)C(=O)O)CCC2=CC=C(C=C2)O |
|
TCMBANKIN027352 |
2-O-beta-D-glucopyranosyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one |
|
|
342.31 |
|
|
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-] |
|
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 |
|
TCMBANKIN027871 |
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
|
C15H20O |
216.32 |
|
|
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 |
|
TCMBANKIN028154 |
4-((2Z,5E)-5-methylhepta-2,5-dien-2-yl)cyclohex-1-ene |
|
|
190.36 |
|
|
TCMBANKIN028190 |
Helenalin |
{Azuleno[6,} 5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a, 8-dimethyl-3-methylene-, {[3aS-(3a.alpha.,4.alpha.,4a.beta.,} 7a.alpha.,8.alpha.,9a.alpha.)]-; NSC 85236; NCGC00163416-01; C09473; HSDB 3490; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; CHEMBL1911137; PF 56; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; MEGxp0_001631; SMR000445626; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha., 8.beta.-dihydroxy-4-oxo-, 12,8-lactone; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-; WLN: T C575 DYVO MV KUTJ A1 BQ DU1 I1; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-Octahydro-4-hydroxy-4abeta,8 alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; AIDS125803; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-; 4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; 6754-13-8; BRN 0028081; NCI60_041870; 8-Epihelenalin; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; CHEBI:69336; 8-epi-Helenalin; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))- (9CI); NSC85236; (3aS,4S,4aR,7aR,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone (8CI); BSPBio_001312; MLS000728512; AIDS-125803; 4-18-00-01434 (Beilstein Handbook Reference); (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-quinone; helenalin |
C15H18O4 |
262.3 |
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2 |
|
TCMBANKIN028258 |
Melilotoside |
(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid; trans-beta-D-glucosyl-2-hydroxycinnamic acid; 2-Propenoic acid, 3-(2-(beta-D-glucopyranosyloxy)phenyl)-, (E)-; (2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid; C05158; beta-D-Glucosyl-2-coumarate; (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-enoic acid; (E)-3-[2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-enoic acid; (2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]acrylic acid; (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]acrylic acid; ACon1_000252; MEGxp0_001978; trans-beta-D-Glucosyl-2-hydroxycinnamate; 618-67-7; CHEBI:17531 |
C15H18O8 |
326.3 |
C1=CC=C(C(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN028264 |
8,10-dihydroxy-9-isobutyryloxythymol |
|
|
268.34 |
|
|
TCMBANKIN028373 |
4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol |
|
|
222.41 |
|
|
TCMBANKIN028407 |
Neoglucobrassicin_qt |
|
C17H22N2O10S2 |
478.49 |
|
|
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 |
|
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 |
|
TCMBANKIN028592 |
catalposide_qt |
|
C22H26O12 |
482.43 |
|
|
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 |
|
TCMBANKIN028720 |
1-hydroxy-6-hydroxymethylanthracenequinone |
|
|
254.25 |
|
|
TCMBANKIN028802 |
isoquercetin_qt |
quercertin,3-o-beta-d-glucopyranoside_qt; quercetin-3-o-galactopyranoside_qt; quercetin,3-o-b-d-glucuronide_qt; quercetin,3-o-glucoside_qt |
C21H20O12 |
464.38 |
|
|
TCMBANKIN028899 |
(+)-(Z)-Methyl epijasmonate |
methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate; methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate; 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester; 2-[(1S,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester |
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
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 |
|
TCMBANKIN029012 |
(2R,3R)-2-(3,5-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one |
(2R,3R)-2-(3,5-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone; (2R,3R)-2-(3,5-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one; (+)-3,3',5',5,7-Pentahydroflavanone |
C21H22O11 |
450.39 |
|
|
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 |
|
|
TCMBANKIN029247 |
DMT |
185124_ALDRICH; CCRIS 266; Terephthalic acid, dimethyl ester; Dimethylester kyseliny isoftalove; Dimethyl 1,4-benzenedicarboxylate; TimTec1_001016; 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER (TEREPHTHALATEDIMETHYLESTER); Dimethyl 4-phthalate; Dimethylester kyseliny tereftalove [Czech]; 63143-14-6; Terephthalic acid methyl ester; NSC 3503; dimethyl benzene-1,4-dicarboxylate; Dimethyl p-phthalate; 1,4-Benzenedicarboxylic acid, dimethyl ester; Dimethyl terephthalate; 202644-54-0; HSDB 2580; NCI-C50055; Di-Me terephthalate; AI3-02246; EINECS 204-411-8; ST010166; 86440_FLUKA; AQ-776/41343666; WLN: 1OVR DVO1; 36910_RIEDEL; Methyl 4-carbomethoxybenzoate; NSC3503; benzene-1,4-dicarboxylic acid dimethyl ester; 120-61-6; Dimethyl p-benzenedicarboxylate; Methyl p-(methoxycarbonyl)benzoate; NCGC00164075-01; InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H; Methyl 4-(carbomethoxy)benzoate |
C10H10O4 |
194.18 |
CNC(=O)OC1=CC2=C(C=C1)OCO2 |
|
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 |
|
TCMBANKIN029315 |
isodihydrocostunolide |
|
C15H22O2 |
234.33 g/mol |
CC1CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN029637 |
IPMC |
OMS-33; 2-Isopropoxyphenyl methylcarbamate; SPBio_001104; 2-Isopropoxyphenyl N-methylcarbamate; KBio2_007594; O-(2-Isopropoxyphenyl) N-methylcarbamate; C14334; Bay 9010; NCGC00094544-02; Blattosep; (2-propan-2-yloxyphenyl) N-methylcarbamate; Caswell No. 508; Boruho 50; Mrowkozol; Spectrum3_000857; CCRIS 1392; Propotox; ENT 25,671; Invisi-Gard; HSDB 603; Chemagro 9010; Carbamic acid, methyl-, o-isopropoxyphenyl ester; PHC 7; (2-isopropoxyphenyl) N-methylcarbamate; BSPBio_002473; Blattanex; SpecPlus_000554; Unden (pesticide); Spectrum2_001232; PS551_SUPELCO; Baygon; KBio1_001594; BAY 5122; o-IMPC; NSC379584; CHEBI:34938; Propoxylor; Propoxure; EPA Pesticide Chemical Code 047802; KBioSS_002465; 45644_RIEDEL; NSC 379584; KBio2_002458; o-Isopropoxyphenyl N-methylcarbamate; Brygou; Propoksuru [Polish]; NCGC00094544-03; Phenol, 2-(1-methylethoxy)-, methylcarbamate; Sendran; AI3-25671; DivK1c_006650; 114-26-1; Spectrum4_000697; KBio2_005026; 2-(1-methylethoxy)phenyl methylcarbamate; Baygone; Bolfo; EINECS 204-043-8; KBioGR_001193; 2-Isopropoxyphenyl-N-methylcarbamat [German]; Tugon fliegenkugel; KBio3_001973; Aprocarb; 2-(propan-2-yloxy)phenyl methylcarbamate; NCGC00094544-01; PHC (carbamate); o-Isopropoxyphenyl methylcarbamate; 2-(1-Methylethoxy)phenol methylcarbamate; BRN 1879891; Bayer 39007; BAY 39007; 2-Isopropoxyphenyl-N-methylcarbamate; PROPOXUR; Isocarb; Propyon; Unden 50PM; Bifex; Phenol, o-isopropoxy-, methylcarbamate; Spectrum5_002032; Rhoden; Suncide; Propoxur [BAN]; Dalf dust; Boruho; Bayer B 5122; N-methylcarbamic acid (2-isopropoxyphenyl) ester; Spectrum_001923; SPECTRUM330066; 2-[(1-methylethyl)oxy]phenyl methylcarbamate |
C11H15NO3 |
209.24 |
CC(C)OC1=CC=CC=C1OC(=O)NC |
|
TCMBANKIN029680 |
ST5437276 |
|
|
168.16 |
|
|
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 |
|
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 |
|
TCMBANKIN029822 |
(Z)-3-(3,4,5-trimethoxyphenyl)acrylic acid |
MEGxp0_001181; (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid; ACon1_001134 |
C12H14O5 |
238.24 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
|
TCMBANKIN029891 |
methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate |
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butyric acid methyl ester; methyl 4-[2-methanoyl-5-(methoxymethyl)pyrrol-1-yl]butanoate; 4-[2-formyl-5-(methoxymethyl)-1-pyrrolyl]butanoic acid methyl ester |
|
239.3 |
|
|
TCMBANKIN029932 |
Caeruloside C_qt |
|
|
388.41 |
|
|
TCMBANKIN030007 |
1,3-dimethoxy-2-o-beta-xylo-pyranosyl-5-o-beta-glucopyranosyl-benzene_qt |
|
|
316.34 |
|
|
TCMBANKIN030099 |
(+)-Leucocyanidin |
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol; 69256-15-1; 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-(2alpha,3beta,4alpha))- |
C15H14O7 |
306.27 |
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)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 |
|
|
TCMBANKIN030591 |
(-)-(3R,8S,9R,9aS,10aS)-9-ethenyl-8-(beta-D-glucopyranosyloxy)-2,3,9,9a,10,10a-hexahydro-5-oxo-5H,8H-pyrano[4,3-d]oxazolo[3,2-a]pyridine-3-carboxylic acid_qt |
|
|
281.29 |
|
|
TCMBANKIN030603 |
Wilfordic acid |
AC1NSSX1; 2-(4-hydroxy-2-methyl-4-oxobutyl)pyridine-3-carboxylic acid; wilfordic acid; wilfordicacid |
|
223.25 |
CC(CC1=C(C=CC=N1)C(=O)O)CC(=O)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 |
|
TCMBANKIN030797 |
Dunnisinin |
dunnisinin |
C11H14O5 |
226.23 g/mol |
COC(=O)C1COC2C3C1C=CC3(CO2)O |
|
TCMBANKIN031058 |
paeonin,a_qt |
|
|
210.25 |
|
|
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 |
|
TCMBANKIN031507 |
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate |
(E)-2-methylbut-2-enoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester |
C13H21NO2 |
223.31 |
|
|
TCMBANKIN031555 |
(2R,3S)-2,3-dihydroxy-2-(4-hydroxybenzyl)succinic acid |
(2R,3S)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid |
C11H12O7 |
256.21 |
|
|
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 |
|
TCMBANKIN031640 |
(4aS,9aS)-2,9,9-trimethyl-5-methylene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
(4aS,9aS)-2,9,9-trimethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
C15H24 |
204.35 |
|
|
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 |
|
TCMBANKIN031921 |
leucodelphinidin |
Leucodelphinidin; CHEMBL460265 |
C15H14O8 |
322.27 |
C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O |
|
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 |
|
TCMBANKIN032028 |
sugeonyl acetate |
|
C17H24O3 |
276.4 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C |
|
TCMBANKIN032079 |
myricetin-3-o-glucopyranoside_qt |
|
|
318.25 |
|
|
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 |
|
TCMBANKIN032223 |
Artelin |
|
C15H18O5 |
278.3 |
|
|
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 |
|
|
TCMBANKIN032410 |
Paniculide B |
paniculide b |
C15H20O5 |
280.32 |
CC(=CCCC1=C2C(CC3(C(C2O)O3)CO)OC1=O)C |
|
TCMBANKIN032510 |
coumaperine |
|
C16H19NO2 |
257.33 |
C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O |
|
TCMBANKIN032531 |
Tomentosin |
NCGC00168921-01; ACon1_000603; 7-Methyl-3-methylene-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one #; SCHEMBL10028477; CHEMBL483219; 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-, [3aR-(3a.alpha.,7.beta.,8a.alpha.)]-; AVFIYMSJDDGDBQ-UHFFFAOYSA-N; NCGC00168921-02!7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; (3aR,7S,8aR)-7-methyl-3-methylene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; MCULE-9975535341; MEGxp0_000589; (3aR,7S,8aR)-6-(3-ketobutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; 68736-88-9; Parthenium; tomentosin; 33649-15-9; MolPort-001-740-745; 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-; 7-METHYL-3-METHYLIDENE-6-(3-OXOBUTYL)-3AH,4H,7H,8H,8AH-CYCLOHEPTA[B]FURAN-2-ONE; AC1LBQ61; (3aR,7S,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; 7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-, (3aR,7S,8aR)-; C09562; NP-001623 |
C15H20O3 |
248.32 |
CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2 |
|
TCMBANKIN032576 |
3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate |
33627-41-7; acetic acid 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl ester; 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate; acetic acid 3-[(3aS,4R,5R,8aR)-4-hydroxy-2-keto-5,7-dimethyl-3-methylene-4,5,8,8a-tetrahydro-3aH-cyclohepta[d]furan-6-yl]propyl ester; 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl ethanoate; C09483 |
C17H24O5 |
308.37 |
CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)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 |
|
TCMBANKIN032706 |
picriside B_qt |
|
C54H94N22O16 |
1307.46 |
|
|
TCMBANKIN032711 |
Illudins I |
|
|
250.37 |
|
|
TCMBANKIN032818 |
cyclo-(val-tyr) |
|
C14H18N2O3 |
262.3 g/mol |
CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O |
|
TCMBANKIN032939 |
Cycasin |
WLN: T6OTJ BO1NUNO&1 CQ DQ EQ F1Q GLUCO; methylazoxymethanol beta-D-glucoside; NSC15190; Methylazoxymethanol glucoside; Cycas revoluta glucoside; 14901-08-7; NSC-15190; Methylazoxymethanol.beta.-D-glucoside; .beta.-D-glucosyloxyazoxymethane; .beta.-D-Glucopyranoside, (methyl-ONN-azoxy)methyl; [(Methyl-ONN-azoxy)methyl]-.beta.-D-glucopyranoside; Methylazoxymethanol .beta.-D-glucoside; cycasin; CYCASIN; .beta.-D-Glucopyranoside, [(methyl-ONN-azoxy)methyl]- |
C8H16N2O7 |
252.22 |
C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-] |
|
TCMBANKIN032963 |
dihydrocostus lactone |
dihydrocostuslactone |
|
234.37 |
|
|
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 |
|
|
TCMBANKIN033061 |
(Z)-Ethyl cinnamate |
(Z)-3-phenylacrylic acid ethyl ester; (Z)-3-phenylprop-2-enoic acid ethyl ester; ethyl (Z)-3-phenylprop-2-enoate; Ethyl cinnamate, (Z); ethyl cinnamate (cis) |
C11H12O2 |
176.21 |
CCOC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN033140 |
CHLORANTHALACTONE A |
NSC334031; Dehydroshizukanolide; chloranthalactone a; 66395-02-6 |
C15H16O2 |
228.29 |
CC1=C2CC3C(=C)C4CC4C3(C=C2OC1=O)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 |
|
TCMBANKIN033250 |
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-chromone |
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxychromen-4-one; AIDS-071925; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-chromen-4-one; 2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-4H-chromen-4-one; NSC618929; NCI60_005665; AIDS071925; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-4-chromenone |
C16H12O8 |
332.26 g/mol |
COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN033283 |
DTR |
(R)-2-Amino-3-(3-indolyl)propionic acid; (R)-Tryptophan; D-alpha-Amino-3-indolepropionic acid; EINECS 205-819-9; InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s; SBB015044; 153-94-6; (2R)-2-amino-3-(1H-indol-3-yl)propionic acid; C00525; D-TRYPTOPHANE; (+)-Tryptophan; SMR000059103; D-Trytophane; (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid; NCGC00093372-02; MLS000069477; TRP NH3+ COOH; NSC 97942; T9753_SIGMA; 93670_FLUKA; CHEBI:16296; D-Tryptophan |
C11H12N2O2 |
204.23 |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN033541 |
Istanbulin-A |
35481-83-5; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzoxole-2,8-dione; Naphtho(2,3-b)furan-2,8(4H,5H)-dione, 4a,6,7,8a,9,9a-hexahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aS-(4aalpha,5alpha,8abeta,9abeta))-; Istanbulin A; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-quinone; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-dione |
C15H20O4 |
264.32 |
CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)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 |
|
TCMBANKIN033725 |
qt_carthamone |
|
|
286.25 |
|
|
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 |
|
TCMBANKIN033985 |
Glutamyl histidine |
|
C11H16N4O5 |
284.27 g/mol |
C1=C(NC=N1)CC(C(=O)O)NC(=O)C(CCC(=O)O)N |
|
TCMBANKIN034014 |
Ferulic acid-β-D-glucoside |
|
|
356.36 |
|
|
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 |
|
|
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 |
|
TCMBANKIN034216 |
WLN: GR DSWR DG |
Benzene, 1,1'-sulfonylbis(4-chloro-; NSC7207; AIDS-167507; AI3-01386; NSC38759; 35805_FLUKA; NSC23899; 1,1'-Sulfonylbis(4-chlorobenzene); p,p'-Dichlorodiphenyl sulfone; 80-07-9; Sulfone, bis(p-chlorophenyl); NSC 23899; NCGC00090750-01; AIDS167507; ST5164278; ZINC00388307; 4,4'-Dichlorodiphenyl sulfone; EINECS 201-247-9; 151378_ALDRICH; 4-Chlorophenyl sulfone; NSC50730; Bis(4-chlorophenyl) sulfone; 4-Chloro-1-(4-chlorophenylsulfonyl)benzene; BRN 2052955; 1-chloro-4-(4-chlorophenyl)sulfonylbenzene; InChI=1/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8; NCGC00090750-02; Di-p-chlorophenyl sulfone; HSDB 5233; 4,4'-Dichlorodiphenylsulfone; Bis(4-chlorophenyl) sulphone; NCGC00090750-03; 1-chloro-4-(4-chlorophenyl)sulfonyl-benzene; Benzene, 1,1'-sulfonylbis[4-chloro-; AI3-02901; Bis(p-chlorophenyl) sulfone; p-Chlorophenyl sulfone; 85228-26-8; 4,4'-Dichlorodiphenyl sulphone |
C12H8Cl2O2S |
287.2 g/mol |
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl |
|
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 |
|
|
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 |
|
TCMBANKIN034292 |
darendoside B_qt |
|
C21H32O12 |
476.47 |
|
|
TCMBANKIN034346 |
Nemerol |
Pethidineter; Pipersal; Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester; 4-Carbethoxy-1-methyl-4-phenylpiperidine; NINDS_000983; Petydyna [Polish]; IDI1_000983; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester; Petidina [INN-Spanish]; 1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester [German]; 1-Methyl-4-phenylisonipecotic acid, ethyl ester; Phetidine; HSDB 3116; Pethanol; 1-methyl-4-phenyl-isonipecotic acid ethyl ester; YIsonipecotic acid, 1-methyl-4-phenyl-, ethyl ester (8CI); 610593_ALDRICH; 1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester; ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; Methyl phenylpiperidine carbonic acid ethyl ester; N-Methyl-4-phenyl-4-carbethoxypiperidine; DivK1c_000983; C07128; DEA No. 9230; Meperidine; Ethyl 1-methyl-4-phenylisonipecotate; EINECS 200-329-1; Pethidinum [INN-Latin]; Pethidin; Isonipecaine; Meperidine solution; Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate; KBio1_000983; Meperidol; Pethidine; 1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester; 57-42-1 |
C15H21NO2 |
247.33 |
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 |
|
TCMBANKIN034666 |
HRP |
(2R)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; 5-Hydroxytryptophan D-form; Tryptophan, 5-hydroxy-, D-; (2R)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; 4350-07-6; D-Tryptophan, 5-hydroxy-; D-5-Hydroxytryptophan |
C11H12N2O3 |
220.22 g/mol |
C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N |
|
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 |
|
TCMBANKIN034827 |
(4aS,6R,8aS)-4a-hydroxy-6-isopropenyl-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
|
234.37 |
|
|
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 |
|
|
TCMBANKIN034976 |
Oleanic acid |
oleanolic acid; oleanoic,acid; oleanic acid |
C30H48O3 |
456.7 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)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 |
|
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 |
|
TCMBANKIN035221 |
4-((1-ethoxy-2-hydroxy)ethyl)phenol |
|
|
182.24 |
|
|
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 |
|
TCMBANKIN035379 |
ZINC00035529 |
(2S)-2-[(2R)-4-methoxy-2,3-dihydrofuro[5,4-b]quinolin-2-yl]propane-1,2-diol; NCGC00015366-01; Lopac-D-7814 |
C15H17NO4 |
275.3 |
CC(CO)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O |
|
TCMBANKIN035399 |
glucobrassicin_qt |
Glucobrassicin_qt |
C16H20N2O9S2 |
448.47 |
|
|
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 |
|
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 |
|
|
TCMBANKIN035744 |
methylbutyl-1,2-benzenedicarboxylate |
|
|
236.29 |
|
|
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 |
|
|
TCMBANKIN035843 |
mucic acid 1,4-lactone 5-0-gallate |
|
|
344.25 |
|
|
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 |
|
TCMBANKIN035992 |
calvatic acid |
|
C8H5N3O3 |
191.14 |
C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-] |
|
TCMBANKIN036037 |
(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
Lopac-I-3766; NCGC00015556-01 |
C15H12O4 |
256.25 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
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-] |
|
TCMBANKIN036177 |
(4aR,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
(4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
C15H22O |
218.33 |
|
|
TCMBANKIN036190 |
(1R)-1-phenylpropan-1-ol |
(R)-()-alpha-Ethylbenzyl alcohol; ZINC01481898; InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H; 256331_ALDRICH; (R)-()-1-Phenyl-1-propanol |
C20H44O4P2S4 |
538.77 |
CCC(C1=CC=CC=C1)O |
|
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 |
|
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 |
|
|
TCMBANKIN036487 |
commiferin |
7-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one; AC1NSTS4 |
C15H20O3 |
248.32 |
CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O |
|
TCMBANKIN036622 |
(1S,4aS,10aR)-7-isopropyl-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
(1S,4aS,10aR)-7-isopropyl-5,8-diketo-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid; (1S,4aS,10aR)-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
|
330.46 |
|
|
TCMBANKIN036752 |
ketologanin_qt |
|
C17H24O10 |
388.37 |
|
|
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 |
|
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] |
|
TCMBANKIN036817 |
atractylenolide I |
(4aS,8aS)-3,8a-dimethyl-5-methylene-4a,6,7,8-tetrahydro-4H-benzo[f]benzofuran-2-one; Atractylenolide I; (+)-Atractylenolide; (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzoxol-2-one |
C15H18O2 |
230.302 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])=C2C(=C(C([H])([H])[H])C(=O)O2)C3([H])[H])[C@]3([H])C(=C([H])[H])C1([H])[H] |
|
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] |
|
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 |
|
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 |
|
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] |
|
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 |
|
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 |
|
TCMBANKIN037067 |
β-Cedrene |
beta-cedrene; DYLPEFGBWGEFBB-OSFYFWSMSA-N; CTK8F1427; A-Cedrene; (+)-; (+)-?-CEDRENE; 6QL7ERD5Q1; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-; AKOS015896901; 546-28-1; KB-62482; (+)-beta-Funebrene; (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC); 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-; UNII-6QL7ERD5Q1; (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-; (+)-beta-Cedrene; ZINC59778864; (+)-.beta.-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; .beta.-Cedrene; EINECS 208-898-8; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-; beta-Cedrene |
|
204.35 |
|
|
TCMBANKIN037364 |
Cyclo-(Leu-Tyr) |
|
|
276.33 g/mol |
|
|
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 |
|
|
TCMBANKIN037410 |
1-O-Galloyl-glycerol |
glycerol gallate; 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate; SCHEMBL1392652; AC1NSVMV; NP-011847; 1-o-galloylglycerol; 59634-75-2; 1-o-galloyl-glycerol |
C10H12O7 |
244.2 g/mol |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC(CO)O |
|
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] |
|
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 |
|
TCMBANKIN037560 |
iso-preleoheterin |
|
C20H30O4 |
334.4 g/mol |
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O |
|
TCMBANKIN037575 |
Scandoside |
ZINC38321680; SCHEMBL307654; scandoside; MolPort-039-338-648; CHEMBL459415; 18842-99-4 |
C16H22O11 |
390.34 |
C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
|
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] |
|
TCMBANKIN037817 |
γ-selinene |
gamma-selinene; γ- Selinene; Eudesma-4(14),7(11)-diene - Substance |
C15H24 |
204.35 |
CC(=C1CCC2(CCCC(=C)C2C1)C)C |
|
TCMBANKIN037991 |
salvianic acid c |
|
|
378.36 |
|
|
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 |
|
TCMBANKIN038143 |
stachyose |
O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside; 10094-58-3; C01613; Stachyose; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; 470-55-3; alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]tet; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetra; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,; CHEBI:17164 |
C24H42O21 |
667 |
O([H])[C@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H]
)O[H])O[C@]3([H])O[C@]4([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)C([H])([H])O[H])O2)O[C@]1([H])C([H])([H])O[H] |
|
TCMBANKIN038145 |
Ermanthin |
Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.)]-; ermanthin; Eremanthin derivative; NSC321215; Eremanthin; NSC 321215; Eremanthine; Azuleno(4,5-b)furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))- (9CI); Vanillosmin; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one; 37936-58-6; NCI60_002782; C09406; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one |
C15H18O2 |
230.3 |
CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN038159 |
Ivalin |
C09488; NSC 85237; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydronaphtho[3,2-d]furan-2-one; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one; 5938-03-4; ivalin ; ivalin; Eudesma-4(14),11(13)-dien-12-oic acid, 2,8-dihydroxy-, gamma-lactone |
|
248.32 g/mol |
|
|
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-] |
|
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] |
|
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] |
|
TCMBANKIN038593 |
8-methoxy-9-hydroxythymol |
|
C11H16O3 |
196.27 |
|
|
TCMBANKIN038777 |
isatan B |
Isatan B; Isatan B, 6; isatan B; BDBM86106; SCHEMBL19129829; 3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-4-one |
C14H15NO7 |
309.271 |
c1([H])c([H])c(c(OC(=O)[C@]([H])(O[C@](C([H])([H])O[H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])c([H])n3[H])c3c([H])c1[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 |
|
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 |
|
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 |
|
TCMBANKIN039567 |
norbergenin |
norbergenin; DTXSID30229787; AC1Q6O1D; AC1L2JFB; norbergenin ; AIDS071138; Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-; (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; CTK5E6939; (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2h)-one; (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; 79595-97-4; AIDS-071138; CHEMBL463164 |
C13H14O9 |
314.245 |
c1(O[H])c(O[H])c([C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])OC3=O)c3c([H])c1O[H] |
|
TCMBANKIN039755 |
Glechomanolide |
|
|
232.318 |
|
|
TCMBANKIN039885 |
Senkyunolide E |
senkyunolide-E; senkyunolide e; senkyunolide E |
|
204.22 g/mol |
|
|
TCMBANKIN039888 |
Schizonepetoside D |
CHEBI:81235; C17637; schizonepetoside d |
C16H26O7 |
330.37 g/mol |
CC1CCC(C(=O)C1)C(=C)COC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN039959 |
4,7-Dihydroxy-3-butylphthalide |
3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide |
|
222.26 |
|
|
TCMBANKIN040828 |
3-O-tiglate derivative |
|
|
278.38 |
|
|
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] |
|
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 |
|
TCMBANKIN041266 |
Leucopelargonidin |
(+)-leucopelargonidin; 3,4,5,7,4'-pentahydroxyflavan; 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; FT-0627804; ACM520172; SCHEMBL18196214; Leucopelargonidin; 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-; (2R,3S,4S)-3,4,5,7,3,4-Hexahydroxyflavan; AC1MMJ46; 3,4,4',5,7-Flavanpentol; Leucopelargonidine; 520-17-2 |
C15H14O6 |
290.268 |
c1([H])c(O[C@@]([H])(c2c([H])c([H])c(O[H])c([H])c2[H])[C@]([H])(O[H])[C@@]3([H])O[H])c3c(O[H])c([H])c1O[H] |
|
TCMBANKIN041308 |
laccaic acid D |
laccaicacid d |
C16H10O7 |
314.25 |
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O |
|
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] |
|
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] |
|
TCMBANKIN041636 |
prunasin |
SMR000470856; CHEMBL1871737; HMS2269N16; MLS000563196 |
C14H17NO6 |
295.29 |
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O |
|
TCMBANKIN041701 |
Aractylenolide II |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN041910 |
Artepillin A |
artepillin a |
|
316.4 g/mol |
|
|
TCMBANKIN042017 |
suspenolic acid |
suspenolicacid |
C10H14O4 |
198.22 g/mol |
CC(=O)OC1CCC(=CC(=O)O)CC1 |
|
TCMBANKIN042100 |
auraptenol |
|
C15H16O4 |
260.285 |
O1c(c(C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])O[H])c(OC([H])([H])[H])c([H])c2[H])c2C([H])=C([H])C1=O |
|
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 |
|
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] |
|
TCMBANKIN042726 |
Isokobusone |
(1S,5R,9R)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one; AC1OF35U |
|
222.32 g/mol |
|
|
TCMBANKIN042752 |
cnidimol B |
cnidimol b |
C15H16O6 |
292.284 |
O1c(c([H])c(O[C@@]([H])([C@@](C([H])([H])O[H])(O[H])C([H])([H])[H])C2([H])[H])c2c3O[H])c3C(=O)C([H])=C1C([H])([H])[H] |
|
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 |
|
TCMBANKIN043002 |
9-O-angeloyl derivative |
|
|
278.38 |
|
|
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 |
|
TCMBANKIN043091 |
divaricatacid |
|
C16H16O7 |
320.294 |
c12c(O[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])O[H])C1([H])[H])c([H])c3c(C(=O)C([H])=C(C(O[H])=O)O3)c2OC([H])([H])[H] |
|
TCMBANKIN043133 |
Echinatin |
|
|
270.28 |
|
|
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 |
|
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 |
|
|
TCMBANKIN043585 |
Velleral |
velleral |
|
232.32 |
|
|
TCMBANKIN043626 |
aucubin |
AIDS031379; 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; MEGxp0_001729; 479-98-1; AIDS-031379; Aucubin; NSC 407293; 55561_FLUKA; LMPR01020107; AKOS015965329; ZINC04098334; (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; C09771; AC-20186; ACon1_002452; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; EINECS 207-540-8; (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
C15H22O10 |
362.329 |
[C@@]12([H])[C@@]([H])(C(C([H])([H])O[H])=C([H])[C@@]1([H])O[H])[C@]([H])(OO[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2[H] |
|
TCMBANKIN043716 |
Picein |
picein; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone; C10720; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]ethanone; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]ethanone; 1-(4-(beta-D-Glucopyranosyloxy)phenyl)ethan-1-one; 530-14-3; EINECS 208-473-7; 1-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone |
|
298.289 |
|
|
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 |
|
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 |
|
TCMBANKIN044268 |
cnidimol E |
cnidimol e |
C15H16O6 |
292.284 |
O1c(c([H])c(O[H])c(C([H])([H])\C(\O[H])=C(/C([H])([H])[H])\C([H])([H])[H])c2O[H])c2C(=O)C([H])=C1C([H])([H])O[H] |
|
TCMBANKIN044294 |
Tuberostemospironine |
|
|
253.29 |
|
|
TCMBANKIN044652 |
alpha-D-fructofuranose |
CHEBI:37720; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; (2S,3S,4S,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol |
C6H12O6 |
180.156 |
O([H])C([H])([H])[C@](O[H])(O[C@]([H])(C([H])([H])O[H])[C@@]1([H])O[H])[C@@]1([H])O[H] |
|
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 |
|
|
TCMBANKIN044902 |
sinapaldehyde glucoside |
|
C17H22O9 |
370.35 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CC=O |
|
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] |
|
TCMBANKIN045190 |
Cyprotene |
|
|
192.34 g/mol |
|
|
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] |
|
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] |
|
TCMBANKIN045804 |
aristolactone |
|
C15H20O2 |
232.32 |
CC1=CCCC2=CC(C(CC1)C(=C)C)OC2=O |
|
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 |
|
TCMBANKIN046056 |
ar-turmerone |
(6S)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one; 532-65-0; ar-Turmerone; ar-turmerone ; 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (S)- |
C15H20O |
216.319 |
c1(C([H])([H])[H])c([H])c([H])c([C@]([H])(C([H])([H])C(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
|
TCMBANKIN046190 |
agarospirol |
AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL |
C15H26O |
222.37 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)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 |
|
TCMBANKIN046207 |
chebulic acid |
chebulicacid |
C14H12O11 |
356.24 |
C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O |
|
TCMBANKIN046316 |
Senkyunolide D |
senkyunolide D; senkyunolide-D; senkyunolide d |
|
222.237 |
|
|
TCMBANKIN046317 |
galangin |
3,5,7-trihydroxy-2-phenyl-4-chromenone; NCGC00142457-01; ZINC00120273; 3,5,7-trihydroxy-2-phenyl-chromen-4-one; ST056288; ACon1_000977; AIDS-003058; 4H-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; 3,5,7-trihydroxy-2-phenyl-chromone; TNP00099; AIDS003058; 5-18-04-00567 (Beilstein Handbook Reference); MEGxp0_000533; NSC 407229; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-; NCGC00017220-01; BRN 0272179; Norizalpinin; NSC407229; 282200_ALDRICH; Galangin; FLAVONE, 3,5,7-TRIHYDROXY-; C10044; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9CI); EINECS 208-960-4; 3,5,7-trihydroxy-2-phenylchromen-4-one; 3,5,7-Trihydroxyflavone; 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone; 548-83-4 |
C15H10O5 |
270.237 |
c1(O[H])c([H])c(OC(c2c([H])c([H])c([H])c([H])c2[H])=C(O[H])C3=O)c3c(O[H])c1[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] |
|
TCMBANKIN046392 |
hypaphorine |
NSC130253; AC1MYRI7; MolPort-001-741-904; HMS2271P06; Hypaphorine, >=95% (LC/MS-ELSD); 3-(1H-indol-3-yl)-2-(trimethylammonio)propanoate; CHEMBL448328; NP-005551; SMR000440569; MCULE-3745207364; MLS000876774; SCHEMBL4736466; NSC-130253; 3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate |
C14H18N2O2 |
246.3 g/mol |
C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] |
|
TCMBANKIN046421 |
Acetylshikonin |
ZINC16954710; CHEMBL112415; SCHEMBL4289438; 11-O-Acetylalkannin; Acetylalkannin; acetylalkannin |
C18H18O6 |
330.332 |
c1([H])c(O[H])c(C(=O)C([H])=C([C@]([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] |
|
TCMBANKIN046605 |
2-methylbutyryloxy moiety |
|
C16H24O4 |
280.359 |
c1([H])c(C([H])([H])[H])c([H])c(O[H])c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])OC([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)c1[H] |
|
TCMBANKIN046723 |
melatonin |
|
C13H16N2O2 |
232.28 |
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN046880 |
Senkyunolide J |
senkyunolide j; senkyunolide-J |
|
226.269 |
|
|
TCMBANKIN046885 |
9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate |
9-acetoxy-8,10-epoxy-6-hydroxythymol3-o-angelate |
C17H20O6 |
320.37 |
|
|
TCMBANKIN047091 |
GA118 |
|
|
348.43 |
|
|
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] |
|
TCMBANKIN047509 |
Britannilactone |
|
C16H24O4 |
280.359 |
C1(C([H])([H])[H])=C([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(\C(=C(/C([H])([H])[H])[H])\C(=O)O2)[C@@]2([H])C1([H])[H] |
|
TCMBANKIN047553 |
Sinapinic acid |
4-Hydroxy-3,5-dimethoxycinnamic acid; NSC 59261; (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; EINECS 208-487-3 |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
|
TCMBANKIN047693 |
Acoramone |
2-Propanone, 1-(2,4,5-trimethoxyphenyl)-; 1-(2,4,5-trimethoxyphenyl)acetone; 2020-90-8; 1-(2,4,5-trimethoxyphenyl)propan-2-one; acoramone |
C12H16O4 |
224.25 |
CC(=O)CC1=CC(=C(C=C1OC)OC)OC |
|
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 |
|
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 |
|
TCMBANKIN048007 |
9-O-isobutyryl derivative |
|
|
266.37 |
|
|
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] |
|
TCMBANKIN048137 |
3-O-(3-methyl-2-butenoyl) derivative |
|
C16H22O4 |
278.343 |
c1([H])c(C([H])([H])[H])c([H])c(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])O[H])c1[H] |
|
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] |
|
TCMBANKIN048313 |
Phellodenol C |
phellodenol-c |
|
246.26 g/mol |
|
|
TCMBANKIN048579 |
galeopsin |
[(1S,2R,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate; AC1NSVMA |
C22H32O5 |
376.49 |
CC(=O)OC1(C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)C |
|
TCMBANKIN048754 |
secologanoside |
|
C16H22O11 |
390.34 g/mol |
C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)O |
|
TCMBANKIN048756 |
9-acetoxythymol 3-O-tiglate |
9-acetoxythymo l3-o-tiglate |
C17H22O4 |
290.4 g/mol |
CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(C)COC(=O)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 |
|
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] |
|
TCMBANKIN049952 |
procurcumadiol |
|
C15H22O3 |
250.33 |
CC1=CC(=O)C(=C(C)C)CC2(C1CCC2(C)O)O |
|
TCMBANKIN049954 |
Benzyl isovalerate |
Butanoic acid, 3-methyl-, phenylethyl ester; Isopropyl acetic acid, benzyl ester; Benzyl isovalerate (natural); 3-methylbutanoic acid phenylmethyl ester; Butanoic acid, 3-methyl-, phenylmethyl ester; Isovaleric acid, benzyl ester; EINECS 203-106-7; NSC46124; 103-38-8; AI3-02953; NSC 46124; ST5407469; Isopentanoic acid, phenylmethyl ester; Phenylmethyl 3-methylbutanoate; WLN: 1Y1&1VO1R; Benzyl 3-methyl butyrate; Benzyl 3-methylbutanoate; Benzyl isopentanoate; BRN 2503435; 3-methylbutyric acid benzyl ester; Benzyl isovalerianate; ZINC01677791; W215201_ALDRICH; FEMA No. 2152; Benzyl 3-methylbutyrate |
C12H16O2 |
192.25 |
CC(C)CC(=O)OCC1=CC=CC=C1 |
|
TCMBANKIN050184 |
3-O-isobutyryl derivative |
|
C15H22O4 |
266.333 |
c1([H])c(C([H])([H])[H])c([H])c(OC(C([H])(C([H])([H])[H])C([H])([H])[H])=O)c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])O[H])c1[H] |
|
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] |
|
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] |
|
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 |
|
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 |
|
TCMBANKIN057949 |
sucrose |
Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose |
C12H22O11 |
342.3 g/mol |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058076 |
myricetin |
3,3′,4′,5,5′,7-Hexahydroxyflavone; Lopac0_000740; EU-0100740; Myricetin; SPBio_002509; NCGC00015697-01; CAS-529-44-2; C10107; TNP00286; CHEBI:58395; S00115; NSC407290; ST057235; KBio2_001981; MYC; EINECS 208-463-2; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; NCI60_003870; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; Myricitin; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; Cannabiscetin; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; ZINC03860925; myricetin ; BSPBio_000570; NSC-407290; CHEBI:18152; Prestwick_342; Spectrum5_000692; M6760_SIGMA; 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; ACon1_000267; Prestwick2_000465; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; CCRIS 5838; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; 70050_FLUKA; KBio2_007117; AIDS-001411; 529-44-2; 5-18-05-00670 (Beilstein Handbook Reference); KBioGR_001884; 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; Prestwick3_000465; KBio2_004549; Prestwick1_000465; Myricetol; NSC 407290; KBioSS_001981; AIDS001411; NCGC00015697-03; BRN 0332331; Lopac-M-6760; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); myricetin(1-); NCGC00094083-02; SpecPlus_000531; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; 3,3'4'5,5'7-hexOH-Flavone; DivK1c_006627; MEGxp0_000357; Spectrum_001501; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Prestwick0_000465; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; Spectrum4_001272; HY-15097; NCGC00015697-06; SPBio_002509; NCGC00015697-01; ST057235; KBio2_001981; 3,7,3',4',5'-Hexahydroxyflavone; Q-100601; LP00740; IKMDFBPHZNJCSN-UHFFFAOYSA-N; AN-939; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; M-1214; NCGC00094083-01; HMS1569M12; NCGC00015697-13; CM0160; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; NSC-407290; BS0289; 4CN-1085; MCULE-6299186219; SR-01000076005-1; HSDB 7682; KS-00000GOF; 529-44-2; KBioGR_001884; LS-69005; BRN 0332331; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); AKOS015903103; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1; NCGC00015697-05; DivK1c_006627; DB02375; NCGC00015697-10; Flavone,3',4',5,5',7-hexahydroxy-; Spectrum4_001272; MolPort-001-740-532; MLS006010718; TNP00286; CCG-204825; Myricetin (Cannabiscetin); Myricetin, >=96.0%, crystalline; KS-5268; SR-01000076005; NCI60_003870; AB0149714; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; BIDD:PXR0079; SMR001233193; HMS3262C22; I14-19097; BSPBio_000570; Spectrum5_000692; 3,3 ,4 ,5,5 ,7-Hexahydroxyflavone; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; NCGC00094083-03; 529M442; NCGC00015697-09; 3,3',4',5,5',7-hexahydroxy-(8CI)- flavone; KBioSS_001981; cid_5281672; NCGC00015697-03; BBL023468; NCGC00094083-02; NCGC00179517-02; SpecPlus_000531; BC201817; HMS2231L04; BG01607805; A829320; NCGC00179517-01; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; FT-0672573; STL284709; REGID_for_CID_5281672; S00115; myricetin; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one #; EINECS 208-463-2; MFCD00006827; AK111247; CHEBI:18152; GL5441; NCGC00261425-01; BIDD:ER0142; s2326; ACon1_000267; Prestwick2_000465; CCRIS 5838; KBio2_007117; 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; MLS002153825; Prestwick1_000465; Prestwick3_000465; Bio-0838; KBio2_004549; NCGC00015697-07; Myricetol; Lopac-M-6760; BDBM15236; HMS2096M12; Myricetin, >=96.0% (HPLC); MEGxp0_000357; Spectrum_001501; 76XC01FTOJ; TR-018746; Prestwick0_000465; ST24041172; M 6760; AJ-46397; Lopac0_000740; EU-0100740; CAS-529-44-2; C10107; NSC407290; Myricetin from Myrica cerifera leaf and bark; 4gqr; 2o63; AC-4533; MYC; NCGC00015697-08; N1850; Myricitin; Cannabiscetin; D0T3PW; HMS3656I05; Tox21_500740; NCGC00015697-04; NCGC00015697-12; DTXSID8022400; Prestwick_342; 3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one; CS-6221; M2131; ZINC3874317; BRD-K43149758-001-04-5; CHEBI: 18152; 3,3',4',5,5',7-hexOH-Flavone; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; Myricetin, analytical standard; UNII-76XC01FTOJ; NSC 407290; LMPK12110001; AX8140581; AC1NQYV4; SCHEMBL19302; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one; SR-01000076005-6; CHEMBL164; NCGC00015697-11; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Myricetin, primary pharmaceutical reference standard; 3,3',4',5,5',7-hexahydroxyflavone |
C15H10O8 |
318.23 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
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 |
|
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 |
|
TCMBANKIN058104 |
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-chromone |
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromenone; 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; 3,5,7,2',6'-Pentahydroxy flavonol; 92519-95-4;3,5,7,2',6'-pentahydroxy flavone |
C15H10O7 |
302.24 g/mol |
C1=CC(=C(C(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)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 |
|
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-] |
|
TCMBANKIN058151 |
taxifolin |
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone; (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone; (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 20254-28-8 (DELETED); trans-Dihydroquercetin; ()-Taxifolin; Taxifolin; ZINC00105077; CHEBI:17948; AIDS003061; MEGxp0_000741; 17654-26-1 (DELETED); 3,3′,4′,5,7-Pentahydroxyflavanone; (+)-Taxifolin; MLS000759539; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one; (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE; 78666_FLUKA; MLS001074712; STOCK1N-51590; DQH; T4512_SIGMA; TAXIFOLIN-(+); (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one; ACon1_000239; (+)-Dihydroquercetin; SMR000466389; 480-18-2; C01617; (2R,3R)-TRANS-DIHYDROQUERCETIN; MLS001066341; AIDS-003061; MLS000759526; AC1LEHLM; NC00093; TAXIFOLIN-(+/-); SCHEMBL1707803; ZINC105086; MLS001423978; (?)-Epitaxifolin; ZB003534; CHEMBL221328; (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one; (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one; Dihydro quercetin; SMR000499525; CCG-100843; CPD000499525; CHEBI:75747; (-)-epitaxifolin; SAM001246760; AB00698321-05; AJ-11152; HMS2051I06; dihydroquercetin ; (2R,3S)-epitaxifolin; MLS000759526; dihydroquercetin |
C15H12O7 |
304.25 g/mol |
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)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 |
|
TCMBANKIN058154 |
leucocyanidol |
leucocyanidol;Resivit;rel-(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 2,3-trans-3,4-cis-Leucocyanidin; Leucoanthocyanidol; Leucocyanidin; Leucocyanidol; Procyanidol; 3,4-Cyanidiol; C05906; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol; Leucocianidol; 3,3',4,4',5,7-Flavanhexol; 480-17-1; (2R,3S,4S)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol; Leukocyanidine; CHEBI:11412; 2r-(3,4-dihydroxyphenyl)chromane-3t,4t,5,7-tetrol |
C15H14O7 |
306.27 g/mol |
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)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 |
|
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 |
|
TCMBANKIN058179 |
1,7-dihydroxyxanthone |
euxanthone; 1,7-dihydroxy-9-xanthenone; 1,7-dihydroxyxanthen-9-one; 9H-Xanthen-9-one, 1,7-dihydroxy-; AIDS415944; AIDS-415944; 1,7-Dihydroxyxanthone; 529-61-3; C10061 |
C13H8O4 |
228.2 g/mol |
C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058279 |
coumarinic acid-beta-d-glucoside |
coumarinicacid-β-d-glucoside;(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid; trans-beta-D-glucosyl-2-hydroxycinnamic acid; 2-Propenoic acid, 3-(2-(beta-D-glucopyranosyloxy)phenyl)-, (E)-; (2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid; C05158; beta-D-Glucosyl-2-coumarate; (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-enoic acid; (E)-3-[2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-enoic acid; (2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]acrylic acid; (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]acrylic acid; ACon1_000252; MEGxp0_001978; trans-beta-D-Glucosyl-2-hydroxycinnamate; 618-67-7; CHEBI:17531;Melilotoside |
C15H18O8 |
326.3 |
C1=CC=C(C(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)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 |
|
TCMBANKIN058321 |
Norwogonin |
70U0WT21IB; AKOS027381297; ST50309217; 5,7,8-trihydroxy-2-phenyl-chromone; 2-Phenyl-5,7,8-trihydroxy-4H-1-benzopyran-4-one; 5,7,8-Trihydroxy-2-phenyl-4H-chromen-4-one; LS-69047; 4H-1-Benzopyran-4-one, 2-phenyl-5,7,8-trihydroxy-; UNII-70U0WT21IB; CHEBI:7642; 4H-1-Benzopyran-4-one, 2-phenyl-5,7,8-trihydroxy- (9CI); ZINC5934539; 4443/9/8; SCHEMBL760431; AC1NQYVA; MCULE-7196250903; 5,7,8-trihydroxy-2-phenylchromen-4-one; LMPK12111329; NSC128304; CTK4I8195; MFCD00016946; 4443-09-8; C-57553; ST5309217; AIDS016591; 5-18-04-00571 (Beilstein Handbook Reference); C10113; NCGC00385188-01!5,7,8-trihydroxy-2-phenylchromen-4-one; 5,7,8-Trihydroxyflavone; DTXSID20196171; norwogonin ; BRN 0272168; FLAVONE, 5,7,8-TRIHYDROXY-; 5,7,8-trihydroxy-2-phenyl-4-chromenone; MolPort-004-960-042; AK394875; CHEMBL485250; 5,7,8-trihydroxy-2-phenyl-chromen-4-one; norwogonin; AIDS-016591; NSC 128304; NSC-128304;nor-wogonin |
C15H10O5 |
270.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058384 |
purpurin |
81-54-9; EU-0000318; AIDS-001387; C.I. Natural Red 16; SDCCGMLS-0066870.P001; Smoke Brown G; 1,2,4-trihydroxyanthra-9,10-quinone; 229148_SIAL; NCGC00095346-02; NSC 10447; CCRIS 3527; Hydroxylizaric acid; 1,2,4-trihydroxyanthracene-9,10-dione; 1,2,4-Trihydroxyanthraquinone; InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19; Purpurin; NCIMech_000036; SBB006444; C10395; SPBio_000133; 9,10-Anthracenedione, 1,2,4-trihydroxy-; C.I. 75410; Purpurine; C.I. Natural Red 8; ZINC03861633; CHEBI:8645; Spectrum3_001947; 9,10-Anthracenedione, 1,2,4-trihydroxy- (9CI); 82631_FLUKA; C.I. 1037; 1,2,4-Trihydroxyanthrachinon [Czech]; Anthraquinone, 1,2,4-trihydroxy-; Spectrum2_000037; BSPBio_003547; EINECS 201-359-8; 4-08-00-03568 (Beilstein Handbook Reference); NCGC00095346-01; NSC10447; AIDS001387; KBio3_002835; SPECTRUM1505300; NCI60_000107; 1,2,4-Trihydroxyanthrachinon; 1,2,4-Trihydroxy-9,10-anthraquinone; 1,2,4-Trihydroxy-9,10-anthracenedione; BRN 1887127; C.I. 58205; WLN: L C666 BV IVJ DQ EQ GQ |
C14H8O5 |
256.21 g/mol |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
|
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 |
|
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 |
|
TCMBANKIN058424 |
L-2-Amino-3-(5-hydroxyindolyl)propionic acid |
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; ST048776; NCGC00015526-01; NCGC00091062-04; CHEBI:17780; C00643; Lopac0_000627; NCGC00091062-01; Lopac-H-9772; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; H9772_SIGMA; 107751_ALDRICH; 56570_FLUKA; 4350-09-8; L-5-HTP; EU-0100627;5-hydroxy-l-tryptophan |
C11H12N2O3 |
220.22 g/mol |
C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058500 |
DUR |
D5412_SIGMA; AIDS113822; ZINC00155696; BRN 0024433; 4-24-00-01200 (Beilstein Handbook Reference); 1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1-H-pyrimidine-2,4-dione; NCGC00142492-01; 2'-Deoxyuridine; 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; C00526; CCRIS 2832; AIDS-113822; MLS001066344; dURD; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-; NSC 23615; SMR000112296; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 20649-53-0; ST057093; EINECS 213-455-7; 2′-Deoxyuridine; 1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil; deoxyuridine |
C9H12N2O5 |
228.2 g/mol |
C1C(C(OC1N2C=CC(=O)NC2=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 |
|
TCMBANKIN058518 |
epigallocatechin |
Spectrum5_000889; (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol; 08108_FLUKA; KBio2_003854; KBioSS_001286; epi-Gallocatechin; (−)-Epigallocatechin; SPBio_000885; Epigallocatechol; (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; AIDS-001348; Spectrum_000806; NCI60_026204; BCBcMAP01_000207; (2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; MCULE-9338438267; CCRIS 5441; CHEBI:42255; Spectrum4_000950; 136892-45-0; (2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol; (3,3',4',5,5',7-Hexahydroxyflavan); (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; SCHEMBL1972938; (+)-epigallocatechin; AIDS001348; KBio3_001136; SDCCGMLS-0066479.P001; EGC; 1-epi-3',4',5,5',7-Pentahydroxy-3-Flavan; NSC674039; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)- (9CI); 970-74-1; E3768_SIAL; EPIGALLOCATECHIN; C12136; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-; KBio2_006422; Antiscurvy factor C2; NCGC00180795-01; SpecPlus_000269; Factor C2 (antiscurvy); (-)cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; (-)-3,3',4',5,5',7-Flavanhexol; 98032-84-9; l-Epigallocatechol; MolPort-001-740-311; 3,3',4',5,5',7-Flavanhexol; BSPBio_001636; (-)-Epigallocatechol; (2S,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol; (-)-Epigallocatechin; (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; 3BC1BF1C-D95B-4EB2-943E-C1F59C7501A0; KBio1_001309; (2S,3S)-epigallocatechin; KBioGR_001540; SPECTRUM205113; ZINC3870339; CHEBI:71227; (2S,3S)-flavan-3,3',4',5,5',7-hexol; CHEMBL130415; (+)-epi-gallocatechin; NP-000358; Spectrum3_000248; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxyflavane; 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL; (+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; Antiscurvy factor C(sub 2); 2545-09-7; ACon1_000192; SMP1_000114; KBio2_001286; L-Epigallocatechin; DivK1c_006365; (2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; Spectrum2_000703; (+)-cis-3,3',4',5,5',7-hexahydroxyflavane; BDBM50135171; (2S,3S)-flavan-3,5,7,3',4',5'-hexol;l-epigallocatechin |
C15H14O7 |
306.27 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
|
TCMBANKIN058520 |
catechin c;epicatechin;alpha-catechin;(-)epicatechin |
epi-Catechol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; SCHEMBL13350313; Epicatechin; (.+-.)-Epicatechol; (+/-)-Epicatechin; AC1L5SMJ; L-Epicatechin; Epicatechol, (-)-; 17334-50-8; NSC-81162; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; epicatechin ; NSC81162; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; NSC-81161; NSC81161;EINECS 207-710-1; KBio2_003207; SpecPlus_000267; (+/-)-Epicatechin; SMP1_000115; AIDS-001347; NSC81161; STOCK1N-16439; (-)-epicatechin; KBioGR_001538; NSC 81161; .alpha. Catechin; BCBcMAP01_000224; KBio1_001307; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-; CCRIS 7097; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- (9CI); C09727; (- )-epicatechin; KBio2_005775; Spectrum3_000243; KBioSS_000639; NCGC00015215-01; (-)-Epicatechin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; 17334-50-8; ZINC00119988; (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; SCHEMBL13350313; (-)- epicatechin; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; (.+-.)-Epicatechol; E4018_SIGMA; CHEBI:28466; NSC81162; Spectrum4_000949; 525952_ALDRICH; NSC-81162; DivK1c_006363; 2545-08-6; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; (−)-Epicatechin; AC1L5SMJ; Lopac-C-1251; NCGC00016415-02; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; Spectrum5_000929; l-Acacatechin; AIDS001347; E1753_SIGMA; 39263_FLUKA; (-)epicatechin ; Epicatechin; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; Spectrum2_000675; 490-46-0; KBio3_001126; KBio2_000639; Prestwick_203; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane; NCGC00016415-01; (-)-epicatechin ; Epicatechin-(-); SDCCGMLS-0066927.P001; CAS-7295-85-4; (- )- epicatechin; 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene; SPBio_000769; L-Epicatechin; epi-Catechol; Oprea1_209947; NSC-81161; (-) epicatechin; SPECTRUM210206; BSPBio_001626; (2R,3R)-(-)-Epicatechin; Spectrum_000159; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; epi-Catechin; CAS-154-23-4; ACon1_001106; Epicatechol, (-)- |
C15H14O6 |
290.27 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)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 |
|
TCMBANKIN058535 |
butin |
ACon1_000269; MolPort-001-740-173; 4CN-1039; MCULE-9899038190; BRD-A75085792-001-01-8; MEGxp0_000004; AC1MRPVU; 21913-99-5; SCHEMBL5504140; 3',4',7-Trihydroxyflavanone; NCGC00180724-01; NP-000008; 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one; CHEMBL3401430 |
C27H30O16 |
610.52 |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN058536 |
(2S)-liquiritigenin;liquiritigenin;DFV |
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; N1793; AJ-23291; AC1LICLD; ZINC519174;4',7-Dihydroxyflavanone; 5-DEOXYFLAVANONE; 578-86-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (S)-; 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE; (2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one; ZINC00985403; 2885-30-5; 17002-53-8; C09762; Liquiritigenin; 7,4'-Dihydroxyflavanone; (2S)-7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone; STOCK1N-11167; 16006-91-0 |
C15H12O4 |
256.25 g/mol |
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
|
TCMBANKIN058594 |
α-Dichroine |
alpha - dichroine; α-dichroine; alpha-dichroine;isofebrifugine |
C16H19N3O3 |
301.34 g/mol |
C1CC2C(CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1 |
|
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 |
|
TCMBANKIN058655 |
Tetrahydropiperic acid |
5-(1,3-benzodioxol-5-yl)pentanoic acid; 5-(3,4-Methylenedioxyphenyl)pentanoic acid; 1,3-Benzodioxole-5-pentanoic acid; DTXSID90415785; Tetrahydropiperinic acid; AKOS022272666; 1,3-Benzodioxole-5-pentanoic acid, 9CI; tetrahydropiperic acid; 41917-45-7; AC1NT0WD; tetrahydropipericacid; 5-(1,3-benzodioxol-5-yl)valeric acid; Piperhydronic acid; CTK1C8738; 5-(2H-1,3-BENZODIOXOL-5-YL)PENTANOIC ACID |
C12H14O4 |
222.24 g/mol |
C1OC2=C(O1)C=C(C=C2)CCCCC(=O)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 |
|
TCMBANKIN058735 |
3-(3-methylbut-2-enylidene)oxindole |
3-(3-methylbut-2-enylidene)-1H-indol-2-one; 3-(3-methylbut-2-enylidene)-2-indolinone; 3-(3-methylbut-2-enylidene)indolin-2-one;(e)-3-(3'-methyl-2'-buteny lidene)-2-indolinone;(e)-3-(3'-methyl-2'-butenylidene)-2-indolinone |
C13H13NO |
199.25 g/mol |
CC(=CC=C1C2=CC=CC=C2NC1=O)C |
|
TCMBANKIN058752 |
shikonin |
HMS1990P11; 517-89-5; ST2402660; SBB066976; BSPBio_001270; AJ-32590; NEZONWMXZKDMKF-SNVBAGLBSA-N; N1643; (+)-Shikonin; HY-N0822; DTXSID30199653; NCGC00163489-01; 517S895; MLS006010149; CS-5906; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; HMS1792P11; AB0013814; RL03907; SR-05000001466-3; (R)-(+)-Shikonin; 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (+)-; BP-30212; J-502235; NSC 252844; SR-05000001466-1; s8279; HSDB 8100; CCG-208272; C17412; SCHEMBL33969; FT-0651798; CCRIS 6492; 874325-10-7; 3IK6592UBW; AC-26871; 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; HMS3403P11; BRN 2058010; KB-210224; AK105374; CHEBI:81068; CTK4J4851; NCGC00163489-02; NCGC00163489-04; N2643; KS-00001FJP; AC1LA0SH; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-; 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-naphthoquinone; TR-031448; Shikonin S; AC1Q6B9B; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; ANW-73225; Tokyo Violet; MolPort-005-932-876; Shikonine; UNII-3IK6592UBW; W-2767; 876010-87-6; CJ-31254; (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione; SR-05000001466; 1,4-Naphthalenedione,5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-; (R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione; MFCD00075680; SMR002530673; AKOS015900416; AS-13554; ZINC2015152; (-)-Shikonin; BG01580835; I664; Isoarnebin 4; HMS2089L09; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; 5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; BSPBio_001270; AIDS094462; AIDS-094462; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; NCGC00163489-01; Isoarnebin 4 |
C16H16O5 |
288.3 |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=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 |
|
TCMBANKIN058801 |
Tecomin |
KBio1_000594; NSC 11905; NCGC00094931-01; Spectrum3_000768; Cancer Chemother Rep (part 2) 4: 11 (1974); Spectrum5_001873; Lapachol Wood; NCI60_000457; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)- (9CI); C.I. Natural Yellow 16; InChI=1/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H; BSPBio_002416; SPECTRUM1501204; Bethabarra Wood; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone; SPBio_001341; IDI1_000594; Lapachic acid; Ipe-tobacco Wood; 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione; Tecomin (VAN); NCI60_000587; AIDS-010570; NSC-11905; Taiguic acid; Lapachol; ZINC00056450; Spectrum2_001451; 142905_ALDRICH; WLN: L66 BV EVJ CQ D2UY1&1; KBio3_001636; EINECS 201-563-7; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-; 84-79-7; NSC 629756; C.I. 75490; 4-hydroxy-3-(3-methylbut-2-enyl)-1,2-naphthoquinone; Greenhartin; CCRIS 745; Zlut prirodni 16 [Czech]; 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-; 2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone; NSC11905; C10366; STOCK1N-11398; Oprea1_717083; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione; 4-08-00-02487 (Beilstein Handbook Reference); NCGC00094931-02; Taigu Wood; SDCCGMLS-0066666.P001; DivK1c_000594; NINDS_000594; AIDS010570; Surinam Greenheart Wood; Natural Yellow- 16; BRN 2051889; NSC629756; NCIMech_000076; Greenharten; lapachol |
C15H14O3 |
242.27 g/mol |
CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058949 |
eugenone |
eugenon; 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione; Eugenone; 2,4,6-Trimethoxybenzoylacetone; J167.369F; ?eugenone ; 480-27-3; AKOS027749230; 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione; AC1NSVC9; UNII-Q49DQ8CSTB; Q49DQ8CSTB;4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal |
C13H16O5 |
252.26 g/mol |
CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC |
|
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 |
|
TCMBANKIN058973 |
O-Acetylcolumbianetin;o-acetyl-columbianetin;columbianetin acetate |
2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; acetic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester; acetic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl acetate; ZINC05166472; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl ethanoate; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] acetate;2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-; COLUMBIANETINACETATE; 2-[(8s)-2-oxo-8,9-dihydro-2h-furo[2,3-h]chromen-8-yl]propan-2-yl acetate; BG00998239; (8S)-columbianetin acetate; AC1L4PDJ; 8077AH; AKOS015896724; AK608209; columbianetin acetate ; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate; 180C656; DTXSID90177755; ZINC5166472; CHEBI:132626; O-Acetylcolumbianetin; ACM23180656; Columbianetin acetate; CTK4F1041; I07-0184; MolPort-020-005-952; SCHEMBL12247775; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; AC1Q6BDX; (8S)-O-acetylcolumbianetin; 2-[(8S)-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-8-YL]PROPAN-2-YL ACETATE; 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate; FT-0624032 |
C16H16O5 |
288.29 g/mol |
CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN058982 |
Aceteugenol |
Acetyleugenol; (2-methoxy-4-prop-2-enyl-phenyl) ethanoate; 3-06-00-05029 (Beilstein Handbook Reference); 2-Methoxy-4-(2-propen-1-yl)phenyl acetate; Acetyl eugenol; AI3-01780; acetic acid (4-allyl-2-methoxyphenyl) ester; (2-methoxy-4-prop-2-enylphenyl) acetate; BRN 1964745; InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H; 2-Methoxy-4-(2-propenyl)phenyl acetate; NSC1242; 1-Acetoxy-2-methoxy-4-allylbenzene; aceteugenol; WLN: 1VOR BO1 D2U1; Eugenyl acetate; 93-28-7; Phenol, 4-allyl-2-methoxy-, acetate; 1,3,4-Eugenol acetate; 4-Allyl-2-methoxyphenyl acetate; Phenol, 2-methoxy-4-(2-propenyl)-, acetate; W246905_ALDRICH; NSC 1242; FEMA No. 2469; acetic acid (4-allyl-2-methoxy-phenyl) ester; Eugenol acetate; (4-allyl-2-methoxy-phenyl) acetate; 4-Allyl-2-methoxyphenol acetate; EINECS 202-235-6; C14567 |
C12H14O3 |
206.24 |
CC(=O)OC1=C(C=C(C=C1)CC=C)OC |
|
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 |
|
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 |
|
TCMBANKIN059099 |
Marmesine;nodakenetin |
(2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (S); C09278; (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; STOCK1N-61085; AIDS071123; ZINC00051923; 495-32-9; marmesine; NSC 340840; AIDS-071123; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-; CCRIS 5728; 1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-; (S)-Marmesin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-; (-)-Marmesin; Nodakenitin; 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R); (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; Nodakenetin;ST4038313; FWYSBEAFFPBAQU-UHFFFAOYSA-N; ( inverted exclamation markA)-Marmesin; MCULE-3188434807; BAS 00015462; 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one; 2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Marmesin; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; SCHEMBL546574; 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Oprea1_172287; AC1LCPS5; AKOS022062475; HMS1672K17; MolPort-001-913-428; 2'-(1''-Hydroxy-1''-methylethyl)-psoralen; STK396315; A1784/0075601; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #; 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one; 13710-70-8; InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (S)-Marmesin; CHEBI:49080; Oprea1_468691; 7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one; Q-100147; ST097606; AKOS000546749; 2-(1-hydroxy-isopropyl)-2,3-dihydrofurano[3,2-g]chromen-7-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O |
|
TCMBANKIN059130 |
Isomeranzin |
AIDS-080545; 7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one; 7-methoxy-8-(3-methyl-2-oxo-butyl)chromen-2-one; isomeranzin; Isomeramazin; 2H-1-Benzopyran-2-one, 7-methoxy, 8-(2-oxoisopentyl); AIDS080545; 7-methoxy-8-(3-methyl-2-oxobutyl)-2-chromenone; 7-Methoxy-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one; 8-(2-keto-3-methyl-butyl)-7-methoxy-coumarin;isomeranzine |
C15H16O4 |
260.29 |
CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC |
|
TCMBANKIN059133 |
cniforin A |
3'-isobutyryloxy-o-acetyl-2',3'-dihydro-oroselol; AC1NSWYB; [8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 2-methylpropanoate |
C20H22O7 |
374.38 |
CC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)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 |
|
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 |
|
TCMBANKIN059217 |
beta-Bourbonene |
(-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene |
C15H24 |
204.35 |
CC(C)C1CCC2(C1C3C2CCC3=C)C |
|
TCMBANKIN059305 |
Curlone |
curlone; b-Turmerone;beta-turmerone;beta-turmerone |
C15H22O |
218.33 |
CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1 |
|
TCMBANKIN059374 |
angelol h |
Angelol D;Angelol H; HMS2213D07; MLS002472945; angelol d; 83247-73-8; SMR001397053; CHEMBL1555302 |
C20H24O7 |
376.4 |
CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O |
|
TCMBANKIN059401 |
2-Phenylbutenal |
|
C10H10O |
146.19 |
CC=C(C=O)C1=CC=CC=C1 |
|
TCMBANKIN059409 |
mollislactone |
|
C15H20O2 |
232.32 |
CC=C1C2=CCCC=C(CCCC2OC1=O)C |
|
TCMBANKIN059438 |
2-methoxy-4-propenyl phenol |
|
C10H12O2 |
164.2 g/mol |
CC=CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059440 |
Isohomogenol |
|
C11H14O2 |
178.23 g/mol |
CC=CC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN059449 |
Izosafrol |
|
C10H10O2 |
162.19 |
CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059459 |
Rutalinidine |
|
C15H17NO4 |
275.3 g/mol |
CC1(C(CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O)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 |
|
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 |
|
TCMBANKIN059769 |
9beta-hydroxyfraxinellone;6beta-hydroxyfraxinellone;dasycarpol |
|
C14H16O4 |
248.27 g/mol |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
TCMBANKIN059806 |
11β,13-dihydrolactucin |
|
C15H16O5 |
276.28 |
CC1=C2C(C3C(C(C1)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 |
|
TCMBANKIN059819 |
atractylenolide i |
|
C15H18O2 |
230.3 |
CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C |
|
TCMBANKIN059820 |
atractylenolide iii; codonolactone |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C |
|
TCMBANKIN059821 |
atractylenolideII |
|
C15H20O2 |
232.32 |
CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C |
|
TCMBANKIN059831 |
Methyl atratate |
|
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN059842 |
o-Acetyl-p-cresol |
|
C9H10O2 |
150.17 g/mol |
CC1=CC(=C(C=C1)O)C(=O)C |
|
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
|
TCMBANKIN059906 |
ar-tumerone |
|
C15H20O |
216.32 g/mol |
CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C |
|
TCMBANKIN059930 |
Glucofrangulin;emodin-8-o-beta-d-glucopyranoside |
|
C21H20O10 |
432.4 g/mol |
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)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 |
|
TCMBANKIN059949 |
Lacinilene-C-7-methyl ether |
|
C16H20O3 |
260.33 |
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O |
|
TCMBANKIN059952 |
Phlegmariuine-N |
|
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN059956 |
himachalene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(=C(CCCC2(C)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 |
|
TCMBANKIN059967 |
germacrone |
|
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
|
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 |
|
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 |
|
TCMBANKIN060000 |
carotol |
|
C15H26O |
222.37 |
CC1=CCC2(CCC(C2(CC1)O)C(C)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 |
|
TCMBANKIN060018 |
Costunolide |
|
C15H20O2 |
232.32 g/mol |
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
TCMBANKIN060019 |
Germacrene B |
|
C15H24 |
204.35 |
CC1=CCCC(=CCC(=C(C)C)CC1)C |
|
TCMBANKIN060039 |
THM |
|
C10H14N2O5 |
242.23 g/mol |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
|
TCMBANKIN060044 |
5-methyluracil |
|
C5H6N2O2 |
126.11 g/mol |
CC1=CNC(=O)NC1=O |
|
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 |
|
TCMBANKIN060069 |
paeoniflorgenone;Paeoniflorigenone |
|
C17H18O6 |
318.32 |
CC12CC(=O)C3CC1(OC(C3COC(=O)C4=CC=CC=C4)O2)O |
|
TCMBANKIN060086 |
gibberellin a 60;GA60 |
|
C19H24O6 |
348.39 |
CC12CCC(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
|
TCMBANKIN060108 |
Naphthol[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,[3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta)] |
|
C15H20O3 |
248.32 g/mol |
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C |
|
TCMBANKIN060114 |
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid |
|
C15H22O2 |
234.33 |
CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O |
|
TCMBANKIN060117 |
iso-alantolactone |
|
C15H20O2 |
232.32 |
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
|
TCMBANKIN060309 |
8-epi-Loganic acid |
|
C16H24O10 |
376.36 g/mol |
CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
|
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 |
|
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=C)C |
|
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
|
TCMBANKIN060523 |
Yuheinoside;plantarenaloside |
|
C16H24O9 |
360.36 |
CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060568 |
gamma-patchoulene |
|
C15H24 |
204.35 g/mol |
CC1CCC23C1CC(C2(C)C)CCC3=C |
|
TCMBANKIN060585 |
α-funebrene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C13CC=C(C(C3)C2(C)C)C |
|
TCMBANKIN060622 |
Uregit |
|
C13H12Cl2O4 |
303.13 g/mol |
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl |
|
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 |
|
TCMBANKIN060713 |
Methyl jasmonate |
|
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN060780 |
7-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 |
|
TCMBANKIN060783 |
(z)-5-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1 |
|
TCMBANKIN060796 |
Cerulignol |
|
C10H14O2 |
166.22g/mol |
CCCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN060831 |
senkyunolide |
|
C12H16O2 |
192.25 g/mol |
CCCCC1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060834 |
neocnidilide |
|
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN060873 |
arachidonic acid |
|
C20H32O2 |
304.5 g/mol |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
|
TCMBANKIN060905 |
Ricineic acid |
|
C18H32O2 |
280.45 |
CCCCCCC=CC=CCCCCCCCC(=O)O |
|
TCMBANKIN060910 |
cis-9-hexadecenoic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN061105 |
Eicosanoic acid |
|
C20H40O2 |
312.53 g/mol |
CCCCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061215 |
n-butyl-β-D-fructopyranoside |
|
C10H20O6 |
237.27 g/mol |
CCCCOC1(C(C(C(CO1)O)O)O)CO |
|
TCMBANKIN061216 |
n-butyl-β-D-fructoufranoside |
|
C10H20O6 |
236.26 g/mol |
CCCCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061249 |
caffeic acid ethyl ester |
|
C11H12O4 |
208.21 g/mol |
CCOC(=O)C=CC1=CC(=C(C=C1)O)O |
|
TCMBANKIN061250 |
p-Hydroxycinnamic acid, ethyl ester |
|
C11H12O3 |
192.21 g/mol |
CCOC(=O)C=CC1=CC=C(C=C1)O |
|
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 |
|
TCMBANKIN061262 |
7-Methoxy-8-(2'-ethoxy-3'-hydroxy-3'-methybutyl)coumarin |
|
C17H22O5 |
306.39 |
CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O |
|
TCMBANKIN061271 |
EA-fructofuranoside |
|
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061275 |
Ethyl glucoside |
|
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN061285 |
N,N-Dimethyl-L-phenylalanine |
|
C11H15NO2 |
193.24 |
CN(C)C(CC1=CC=CC=C1)C(=O)O |
|
TCMBANKIN061302 |
Atropin;atropine |
|
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
|
TCMBANKIN061321 |
n-methyl-corypalline |
|
C12H17NO2 |
207.27 g/mol |
CN1CCC2=CC(=C(C=C2C1)OC)OC |
|
TCMBANKIN061375 |
Abrine |
NCGC00142581-01; N-methyl-L-tryptophan; 69555_FLUKA; (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid; N-Metil-L-triptofano; A829179; L-2-Methyltryptophan; 3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propanoic acid; L-Abrine; N(alpha)-methyl-L-tryptophan; EINECS 208-388-5; SBB012419; 434248_ALDRICH; CHEBI:15334; abrine; Nalpha-Methyl-L-tryptophan; (2S)-3-(1H-indol-3-yl)-2-methylaminopropanoic acid; N-Methyl-L-tryptophane; C02983; 526-31-8; 3-(1H-indol-3-yl)-2-(methylammonio)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propionic acid; abrin |
C12H14N2O2 |
218.25 |
CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
|
TCMBANKIN061394 |
Methyl caffeate |
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (2E)-; N79173B9HF; 3-(3,4-dihydroxyphenyl)acrylic acid methyl ester; (E)-3-(3,4-dihydroxyphenyl)acrylic acid methyl ester; BG01510488; STK523948; Caffeic acid methyl ester; Caffeic acid methyl; C10477; methyl (E)-3-(3,4-dihydroxyphenyl)-2-propenoate; AX8139367; CHEMBL17001; AKOS003263230; Methyl 1-(3'',4''-dihydroxyphenyl)propenate; ACM3843741; methyl 3-(3,4-dihydroxyphenyl)acrylate; caffeic acid methylester; Caffeic acid, methyl ester; J-502041; AK131257; ST5306988; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester; BG01510487; FCH5604426; AC1Q5YZ9; RL04585; ZX-AN022874; methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; ST094769; Methyl 1-(3',4'-Dihydroxyphenyl)Propenate; ZINC00058222; (E)-methyl-3-(3,4-dihydroxyphenyl)acrylate; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)-; API0016257; AC1LENEX; KB-02534; Methyl 3,4-dihydroxycinnamate; SBB000325; AJ-09841; 3,4-dihydroxycinnamic acid methyl ester; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester; AX8252180; AIDS-085228; SC-88492; TC-133588; METHYLCAFFEATE; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester; (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester; ZB002356; 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester; (E)-3-(3,4-Dihydroxyphenyl)propenoic Acid Methyl Ester; KB-255969; 4978AB; ST24031000; (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate; BDBM50029209; methyl caffeate; BBV-44220535; 3843-74-1; R2609; CHEBI:6856; AIDS085228; OCNYGKNIVPVPPX-HWKANZROSA-N; AC1Q5YKG; (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid methyl ester; ALBB-024360; UNII-N79173B9HF; ZINC58222; Methylcaffeate; 67667-67-8; methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate; MCULE-5269580490; C-1420; methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; MolPort-002-747-457; methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate; (E)-Methyl3-(3,4-dihydroxyphenyl)acrylate; AK-88791; A4212/0179337; MFCD00210468; methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate; A824271 |
C10H10O4 |
194.18 g/mol |
COC(=O)C=CC1=CC(=C(C=C1)O)O |
|
TCMBANKIN061396 |
Methyl (Z)-cinnamate |
Methyl cinnamate, (Z); (Z)-3-phenylacrylic acid methyl ester; methyl (Z)-3-phenylprop-2-enoate; (Z)-3-phenylprop-2-enoic acid methyl ester |
C10H10O2 |
162.19 |
COC(=O)C=CC1=CC=CC=C1 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN061440 |
Phytodolor |
AIDS348374; 7-hydroxy-6,8-dimethoxychromen-2-one; NSC324637; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-chromen-2-one; NSC 324637; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; AIDS-348374; BRN 0202652; 7-hydroxy-6,8-dimethoxy-2-chromenone; 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; 7-hydroxy-6,8-dimethoxy-coumarin; Isofraxidin; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); Coumarin, 7-hydroxy-6,8-dimethoxy-; isofraxidin; 486I215; AC-8051; Q-100542; SCHEMBL3924718; 7-hydroxy-6,8-dimethoxychromen-2-one; HOEVRHHMDJKUMZ-UHFFFAOYSA-N; UNII-304915F056; NSC324637; V1549; 6,8-dimethoxy-7-hydroxycoumarin; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-1-benzopyran-2-one; Isofraxidin, analytical standard; 7-hydroxy-6,8-dimethoxy-chromen-2-one; C17480; NSC 324637; 2H-1-Benzopyran-2-one,7-hydroxy-6,8-dimethoxy-; CTK8E5534; SC-17017; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; CHEMBL451518; AC1NSX0O; Phytodolor; 6,8-dimethoxy-7-oxidanyl-chromen-2-one; FT-0688350; Ambotz486-21-5; TR-017709; A827571; NSC-324637; 6,8-Dimethoxyumbelliferone; AN-8405; DTXSID70197557; I14-19008; BRN 0202652; 7-Hydroxy-6,8-dimethoxycoumarin; LS-39687; FT-0698467; BG01525210; Isofraxidin; AKOS000278010; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); MCULE-8927053707; ZINC1573299; 304915F056; Coumarin, 7-hydroxy-6,8-dimethoxy-; CHEBI:81121; W-2732; MolPort-000-882-100 |
C11H10O5 |
222.19 |
COC1=C(C(=C2C(=C1)C=CC(=O)O2)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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN061529 |
6,7-dimethoxycoumarin |
6, 7-dimethoxycoumarin; 6, 7-dimethoxy coumarin; 6,7-dimethoxy-coumarin; 6, 7- dimethoxycoumarin; 6,7-Dimethoxy coumarin;6,7-dimethoxy-2h-1-benzopyran-2-one;C-10265; EINECS 204-369-0; 6,7-Dimethoxy-Benzopyran-2-one; Dimethyl esculetin; KS-00000W5Q; W-1779; C11H10O4; 6,7-Dimethoxy-Coumarin; AC1L1QYE; DTXSID10152640; ZINC00002067; 6,7-DIMETHOXYCOUMARIN; Esculetin 6,7-dimethyl ether; 6,7-Dimethoxycoumarine; RTR-003340; ST50319943; CJ-00079; BRN 0169572; TR-003340; Scoparin?; Escoparone; 6,7-dimethoxy-2-chromenone; Bio-0192; 6,7-Dimethoxy-2-benzopyrone; 6,7-Dimethoxy-chromen-2-one; BDBM50361374; CC-22351; 2H-1-Benzopyran-2-one,6,7-dimethoxy-; 2H-1-Benzopyran-2-one, 6,7-dimethoxy-; AKOS000277541; AB3000014; 6,7-Dimethoxybenzopyran-2-one; 6,7-Dimethoxy-2H-chromen-2-one #; OR345015; ACon1_002079; SR-01000631300-1; 6,7-Dimethoxy-2H-chromen-2-one; ST5319943; AN-43331; GUAFOGOEJLSQBT-UHFFFAOYSA-N; Scoparone; KSC241M7T; o,o-Dimethylesculetin; 5-18-03-00204 (Beilstein Handbook Reference); BRD-K16835051-001-02-0; Benzopyran-2-one, 6,7-dimethoxy-; SC-46088; PubChem13307; 120S081; 6,7-dimethoxychromen-2-one; H5841PDT4Y; C09311; 254886_ALDRICH; FT-0603321; MEGxp0_001422; Esculetin dimethyl ether; 6,7-Dimethylcoumarine; Scoparon; CHEMBL325864; AM20020282; CCG-41207; 120-08-1; IN1101; LS-55182; Dimethylaesculetin; I14-17932; Maybridge4_003009; SCHEMBL240777; AIDS026315; o-Methylisoscopoletin; Benzopyran-2-one, 6,7-dimethoxy- (9CI); MCULE-1591753422; ZB000476; N2328; AC-11197; Aesculetin dimethyl ether; Coumarin, 6,7-dimethoxy-; 6,7-Dimethylesculetin; 6,7-Dimethoxy-2H-1-benzopyran-2-one; Q-100099; CHEBI:9055; 6,7-dimethoxycoumarin; ZINC2067; BRD-K16835051-001-01-2; MolPort-000-881-854; MFCD00006871; UNII-H5841PDT4Y; HMS1529I17; AB0019685; Scopoletin methyl ether; ACMC-20am0m; scoparone ; AIDS-026315; o-Methylscopoletin; 6,7-Dimethoxycoumarin, 98%;scoparone |
C11H10O4 |
206.19 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC |
|
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 |
|
TCMBANKIN061536 |
Corydaldine |
Maybridge4_000744; 6,7-Dimethoxy-3,4-dihydro-1(2H)-isoquinolinone; 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one; Oprea1_116786; IDI1_031326; ZINC04324103; 6,7-dimethoxy-3,4-dihydroisocarbostyril |
C11H13NO3 |
207.23 |
COC1=C(C=C2C(=C1)CCNC2=O)OC |
|
TCMBANKIN061544 |
cuscutin |
bergenin;3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one; D01040; Bergenin [JAN]; 477-90-7 (ANYDROUS); Bergenin; Bergenin (JAN); Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-; CHEMBL1512567; AIDS-031337; HMS2268E16; 3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one; (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; MLS000563027; 4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone; bergenin ; BB_NC-1749; ZINC04046820; SMR001215803; C09919; 477-90-7; (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; AIDS031337 |
C14H16O9 |
328.27 g/mol |
COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN061654 |
alizarin 2-methylether |
1-hydroxy-2-methoxyanthracene-9,10-dione; Anthraquinone, 1-hydroxy-2-methoxy-; 6003-11-8; alizarin-2-methylether; 1-hydroxy-2-methoxy-9,10-anthraquinone; CCRIS 6434; C10291; MLS001049042; STOCK1N-33834; Alizarin 2-methyl ether; ZINC04042240; 9,10-Anthracenedione, 1-hydroxy-2-methoxy-; SMR000387052; 1-Hydroxy-2-methoxyanthraquinone; 1-hydroxy-2-methoxy-anthracene-9,10-dione;1-hydroxy-2-methoxyanthraquinone;
Alizarin-2-methylether |
C15H10O4 |
254.24 g/mol |
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O |
|
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 |
|
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 |
|
TCMBANKIN061682 |
3-O-Methylquercetin |
ACon1_000818; NSC 154016; AIDS-104113; NSC154016; TNP00037; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one); MLS000877018; 3-O-MQ; Oprea1_264124; C04443; 3-o-methylquercetin ; MEGxp0_000771; AIDS104113; 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-; SMR000440662; 1486-70-0; ZINC00015631; Quercetin-3-methyl ether; 3',4',5',7'-Tetrahydroxy-3-methoxyflavone; NCGC00017391-01; NCGC00142365-01; Quercetin-3-methylether; 3-Methoxy quercetin; Quercetin-3-O-methyl ether; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one; 3-Methoxy-5,7,3',4'-tetrahydroxyflavone; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; 3-MQ; Flavone, 3',4',5,7-tetrahydroxy-3-methoxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one; 3-o-methylquercetin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one; CHEBI:16860;quercetin-3-methylether;5,7,3',4'-tetrahydroxy-3-methoxyflavone;3-Methoxy-quercetin |
C16H12O7 |
316.26 g/mol |
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN061684 |
APIOL |
SPBio_000378; Apiol; NCGC00094551-03; 1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene; NCGC00094551-02; UNII-QQ67504PXO; Parsley apiol; LS-29055; apiol ; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; apiol; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; ZERO/009048; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; Spectrum2_000419; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643; APIOL; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; Spectrum2_000419; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643 |
C12H14O4 |
222.24 |
COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
|
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 |
|
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 |
|
TCMBANKIN061734 |
Gentisin |
C10066; 1,7-dihydroxy-3-methoxy-xanthen-9-one; 1,7-Dihydroxy-3-methoxyxanthen-9-one; 1,7-Dihydroxy-3-methoxyxanthone; gentisin; Gentisine; AIDS351438; AIDS-351438; 1,7-dihydroxy-3-methoxy-9-xanthenone; BRN 0384788; 437-50-3; Xanthen-9-one, 1,7-dihydroxy-3-methoxy-; CCRIS 3151; Gentianin; 9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-; 1,7-dihydroxy-3-methoxy-xanthone; EINECS 207-114-1; GENTIANIC ACID; 5-18-04-00497 (Beilstein Handbook Reference); |
C14H10O5 |
258.23 g/mol |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)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 |
|
TCMBANKIN061751 |
Sinapaldehyde |
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; 4206-58-0; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; sinapaldehyde; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; 3,5-Dimethoxy-4-hydroxycinnamaldehyde (E); (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; MEGxp0_001085; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapinaldehyde; trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; C05610; ACon1_001103; 382159_ALDRICH; Sinapoyl aldehyde; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal; sinapyl aldehyde; CHEBI:27949;sinapal dehyde |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=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 |
|
TCMBANKIN061761 |
Zhebeiresinol |
zhebeiresinol;caruilignan d |
C14H16O6 |
280.27 |
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2 |
|
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 |
|
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 |
|
TCMBANKIN061808 |
(3R)-claussequinone |
(3r)-claussequinone; 3R-Claussequinone; 2-[(3R)-7-hydroxychroman-3-yl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione; (3R)-Claussequinone; 2-[(3R)-7-hydroxychroman-3-yl]-5-methoxy-1,4-benzoquinone; 35878-39-8; 2-[(3R)-7-hydroxy-3-chromanyl]-5-methoxy-1,4-benzoquinone; 2-[(3R)-7-hydroxychroman-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione; 2-[(3R)-7-hydroxychroman-3-yl]-5-methoxy-p-benzoquinone; NSC331934 |
C16H14O5 |
286.28 g/mol |
COC1=CC(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
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TCMBANKIN061924 |
jioglutin B |
jioglutin b; jioglutin A; jioglutin a |
|
250.7 |
COC1CC2C3C(O1)OCC3(C(C2O)Cl)O |
滇IICP备16009434号-1 |
Dai SX Lab