|
TCMBANKIN000003 |
rotenone |
rotenone |
C23H22O6 |
394.4 g/mol |
CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC |
|
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 |
|
TCMBANKIN000042 |
isolinderalactone |
NP-013327; ACN-047352; (3aS,4R,8bR)-4-ethenyl-4,8-dimethyl-3-methylidene-5,8b-dihydro-3aH-furo[2,3-e][1]benzofuran-2-one; 957-66-4; CHEBI:69073; AKOS032946064; AK687125; BDBM50359989; AC1NSX1X; Isolinderalactone; ZINC13532023; CHEMBL1927943 |
C15H16O3 |
244.28 g/mol |
CC1=COC2=C1C3C(C(=C)C(=O)O3)C(C2)(C)C=C |
|
TCMBANKIN000051 |
carnosine |
|
C9H14N4O3 |
226.23 g/mol |
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN |
|
TCMBANKIN000052 |
cannabidiol |
abn-cbd, (-)-4-(3-3,4-trans-p-menthadien-[1,8]-yl)olivetol; SCHEMBL16224872 |
C21H30O2 |
314.5 g/mol |
CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O |
|
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 |
|
TCMBANKIN000062 |
Fraxinellone |
28808-62-0; 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- (9CI); Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-; NCI60_012928; NSC638730; fraxinellone; (3R,3aR)-3-furan-3-yl-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; fraxinellone ; (3R,3aR)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; ZINC00265490 |
C14H16O3 |
232.27 |
CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3 |
|
TCMBANKIN000068 |
ellipticine |
ZINC00120296; 5-23-09-00417 (Beilstein Handbook Reference); 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-; E3380_SIGMA; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium; K00071; EU-0100531; EINECS 208-264-0; BPBio1_000604; SMR000058370; C09154; BSPBio_000548; Lopac0_000531; NCGC00015411-02; AIDS-001996; Prestwick_194; NCI60_040685; Probes2_000130; Prestwick1_000614; MLS000028487; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; Prestwick2_000614; 519-23-3; Lopac-E-3380; Prestwick3_000614; NSC71795; CP 5; SPBio_002767; WLN: T D6 B656 FN LMJ C1 J1; Probes1_000152; NSC 71795; BRN 0221300; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole; CAS-519-23-3; 5,11-Dimethyl-2-azonia-6H-pyrido[4,3-b]carbazole; CCRIS 2003; Prestwick0_000614; NCGC00015411-01; AIDS001996; Neuro_000031; Elliptisine; AC1NRAY8; NSC-71795; MLS000736786; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-; Ellipticine; ICIG 770 |
C17H14N2 |
246.31 |
CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C |
|
TCMBANKIN000069 |
Deoxyelephantopin |
29307-03-7; Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)-; BRN 1662665; C09388; deoxyelephantopin; NSC 259726; ESD; LMPR01030021; LS-71188 |
C19H20O6 |
344.36 |
CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
|
TCMBANKIN000081 |
dehydrocostus lactone |
dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 |
C15H18O2 |
230.3 |
C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN000088 |
cryptotanshinone |
NCI60_031208; CTS; 4733-35-1; A822990; C19H22O3; ZINC02109876; SMR000387041; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g][1]benzoxole-10,11-dione; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-quinone; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; NCGC00163650-01; BB_NC-1574; Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-; MolPort-006-823-903; (1R)-1,6,6-trimethyl-1,2,3a,6,7,8,9,11a-octahydrophenanthro[1,2-b]furan-10,11-dione; MLS001049002; 35825-57-1; DTXSID0044072; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-dione; (-)-Cryptotanshinone; Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; SPECTRUM1505812 |
C19H20O3 |
296.36 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
TCMBANKIN000097 |
nitidine |
I14-18057; CHEMBL176008; 6872-57-7; 933301178Z; NCI60_000995; CTK5C8373; CHEBI:7578; FT-0686666; ZINC898732; SCHEMBL8014101; C09595; AK608233; 2,3-Dimethoxy-12-methyl-9H-phenanthridino[4',3'-2,1]benzo[4,5-d]1,3-dioxolane; N2626; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1(13),2(10),3,8,11,14(19),15,17,20-NONAEN-21-IUM; Nitidine; Nitidine chloride; AKOS015904022; NCIMech_000542; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-; 13063-04-2 (CHLORIDE); Ambap13063-04-2; AJ-24283; AC1L1IB4; broussopapyrine A; UNII-933301178Z; ZB015155; CCG-35985; DTXSID60218846; [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-; AC1Q701O; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; Neuro_000081; BDBM50017566 |
C21H18NO4+ |
348.4 g/mol |
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
|
TCMBANKIN000101 |
juglone |
Nucin; Iuglon; AIDS-005215; Spectrum2_000778; Spectrum3_001228; HMS503M13; DB-005382; KBio2_007606; cMAP_000058; UNII-W6Q80SK9L6; Antibiotic PD7; NCGC00095247-05; SCHEMBL34185; KBioGR_000497; KBio2_000497; AC1L1GR8; Walnut extract; NSC153189; 5-hydroxy-1,4-naphtoquinone; 1,4-Naphthalenedione,5-hydroxy-; HMS3403I19; HMS1990I19; MFCD00001684; KBio3_000913; BG01503871; QC-1358; Caswell No. 515AA; IN1286; AC1Q6B0X; 5-hydroxy-1,4-dihydronaphthalene-1,4-dione; RTR-030750; NSC-153189; BSPBio_001157; AB0019716; HMS1362I19; SPBio_000856; NSC 622948; Regianin; AIDS005215; KQPYUDDGWXQXHS-UHFFFAOYSA-N; AC1Q794F; 5-Hydroxy-1,4-naphthosemiquinone; NCGC00095247-01; 5-Hydroxy-1,4-naphthoquinone; V0179; SPECTRUM300038; Bio1_000441; C.I. Natural Brown 7; KBio3_000914; H47003_ALDRICH; 5-hydroxy-1,4- naphthalenedione; ST5330598; LS-2142; Akhnot; MolPort-000-725-926; 8-Hydroxy-1,4-naphthalenedione; BDBM24777; SMP1_000168; KBio2_003065; WLN: L66 BV EVJ GQ; KBio2_002470; NCI 2323; 1,4-NAPHTHALENEDIONE, 5-HYDROXY-; C.I. 75500; KBioSS_000497; juglone ; 5-Hydroxy-1,4-naphthalenedione; KBio3_002176; KBio2_003463; Juglane; KBio2_005633; D0C0NH; KS-0000195Q; Bio2_000409; 5-Hydroxy-[1,4]Naphthoquinone; 5-Hydroxy-1,4-naphthoquinone, 97%; Spectrum5_000357; Bio1_000930; KBio1_001026; NCGC00095247-03; 5-Hydroxy-1,4-naphthalenedione, 9CI; 5-Hydroxy-p-naphthoquinone; KBio2_005038; EINECS 207-567-5; 1,4-dihydro-1,4-dioxo-5-hydroxynaphthalene; 5-Hydroxynaphthalene-1,4-dione; D02FPF; 5-HNQ; Walnut Extract; CCG-40256; AN-23490; IDI1_002164; CHEBI:15794; AM20040546; KBioGR_002257; 5-hydroxy-naphthalene-1,4-dione; ZINC00526257; CHEMBL43612; 5-Hydroxy-1,4-naftochinon [Czech]; NCGC00095247-04; 1, 8-hydroxy-; KB-73530; 5-Hydroxy-1,4-naftochinon; HMS1792I19; J-650071; CTK8B1734; 1,4-Naphthoquinone, 5-hydroxy-; FCH1114383; ACN-049171; W6Q80SK9L6; NSC-34266; NSC622948; IDI1_001026; Juglon; Oil Red BS; Avastin+/-Tarceva; Q-100522; BSPBio_002676; NCGC00095247-02; DTXSID0031504; C-05811; DivK1c_001026; 1,4-Naphthoquinone, 5-hydroxy- (8CI); SDCCGMLS-0066542.P001; C03840; 5-Hydroxy-1,4-naphthlenedione; 3b7j; KBio2_006031; ANW-30636; AKOS001576598; F0451-0746; KBioGR_002470; JUG; 1,4-Naphthalenedione, 5-hydroxy-; HMS1923G07; I14-6718; NSC 153189; CC-21839; Spectrum_000415; InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12; Jugnlon; KBioSS_002477; ACM481130; 59990_FLUKA; AK307307; CCRIS 5423; ZB014304; Yuglon; ZINC526257; KBio2_000895; 5-Hydroxynaphthoquinone; KBioSS_000895; D08PZH; 4-08-00-02368 (Beilstein Handbook Reference); KBio3_002948; NINDS_001026; BRN 1909764; Bio1_001419; NSC-622948; SR-05000002406-1; 5-hydroxy-1,4-naphthoquinone; MCULE-5238429657; 8-Hydroxy-1,4-naphthoquinone; Juglone; NSC34266; FT-0627559; 481-39-0; 1,4-Naphthoquinone, 8-hydroxy-; ACMC-1AFTN; CI 75500; Bio2_000889; Spectrum4_001769; SR-05000002406; 5-hydroxy-1,4-naphthoquinone, 4; ST50330598 |
C10H6O3 |
174.15 |
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O |
|
TCMBANKIN000102 |
petunidin |
Petunidin 3-O-beta-D-sambubioside; Petunidin 3-sambubioside; petunidin 3-rhamnoglucoside_qt; Petunidin 3-(2-xylosylglucoside); LMPK12010363; petunidin |
C16H13O7+ |
317.27 g/mol |
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
|
TCMBANKIN000112 |
yohimbine |
Prestwick2_000584; 146-48-5; InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12?,15?,17?,18-,19+/m0/s; (16alpha,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester; KBio3_001032; Prestwick1_000584; Yohimbic acid methyl ester; 4-25-00-01237 (Beilstein Handbook Reference); IDI1_002213; Lopac0_001210; (+)-Yohimbine; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI); BRN 0097276; Johimbin; 146-48-5 (FREE BASE); Yohimbine; Bio1_001433; Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester; Corynine; 17-Hydroxy-yohimbane-16-carboxylic acid methyl ester; Bio1_000455; KBio3_001031; C09256; BSPBio_000428; 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester; KBio2_005712; Aphrosol; Bio2_000938; 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester; KBioSS_000576; KBio2_000576; (+)-Yohimbin; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.; Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester; SMP1_000320; Yohimbol-16alpha-carboxylic acid, methyl ester (6CI); BCBcMAP01_000032; Quebrachine; KBio2_003144; BB_NC-1430; CHEBI:10093; Prestwick0_000584; EINECS 205-672-0; AIDS011945; Prestwick3_000584; 17-Hydroxyyohimban-16-carboxylic acid methyl ester; methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate; Yohimbin; Bio2_000458; KBioGR_000576; NSC19509 (HCL); BSPBio_001236; AIDS-011945; 65-19-0 (HCL); Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI); trans-Quinolizidine yohimbine; Quebrachin; (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-; nchembio705-2; Bio1_000944; methyl 17alpha-hydroxyyohimban-16alpha-carboxylate; BPBio1_000472; APHRODINE; SPBio_002647 |
C21H26N2O3 |
354.44 |
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
|
TCMBANKIN000119 |
asperglaucide |
Asperglaucide; aurentiamide acetate; aurantiamide acetate |
C27H28N2O4 |
444.52 |
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
|
TCMBANKIN000132 |
Schkuhrin I |
AC1O5MGC; Hiyodorilactone A; NSC 311052; schkuhrin i; 38458-58-1; [(6Z,10Z)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; Eucannabinolide; 2-Butanoic acid, 4-hydroxy-2-(hydroxymethyl)-, 9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR*,4S*(E),6E,9S*,10Z,11aR*)- |
C22H28O8 |
420.5 g/mol |
CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C |
|
TCMBANKIN000137 |
1-Methoxyphaseollidin |
AIDS-096030; AIDS096030; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromene-3,9-diol; (6aR,11aR)-1-Methoxy-10-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofurano[3,2-c]chromene-3,9-diol |
C21H22O5 |
354.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C |
|
TCMBANKIN000300 |
Mukurozioside I_qt |
mukurozioside Ib_qt; mukurozioside Iib_qt; Mukurozioside Ⅱb_qt |
C51H86O28 |
1147.21 |
|
|
TCMBANKIN000329 |
Erysotrine |
C09423; 27740-43-8; erysotrine |
C19H23NO3 |
313.39 |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
TCMBANKIN000434 |
methyltanshinonate |
Methuyl tanshinonate; (?)-Methyl tanshinonate; FT-0628808; Methyl 1,6-dimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-6-carboxylate #; AC1LDQ9J; METHYL 6,14-DIMETHYL-16,17-DIOXO-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),8,11(15),13-PENTAENE-6-CARBOXYLATE; Phenanthro[1,2-b]furan-6-carboxylic acid, 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxo-, methyl ester; methyl tanshinonate; 135355-72-5; YFDKIHAZVQFLRC-UHFFFAOYSA-N; methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate; methyl 6,14-dimethyl-16,17-dioxo-12-oxatetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1(10),2(7),8,11(15),13-pentaene-6-carboxylate; Methyltanshinonate; SCHEMBL16152293 |
C20H18O5 |
338.4 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
|
TCMBANKIN000442 |
1-Methoxynapthalene |
2216-69-5; alpha-Naphthyl methyl ether; AI3-02144; 1-Methoxynaphthalene; EINECS 218-696-1; AIDS-017812; Methyl 1-naphthyl ether; InChI=1/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H; AIDS017812; .alpha.-Naphthyl methyl ether; NSC5530; 154571_ALDRICH; NSC 5530; ZINC01686999; Naphthalene, 1-methoxy-; alpha-Methoxynaphthalene; .alpha.-Methoxynaphthalene |
C11H10O |
158.2 |
COC1=CC=CC2=CC=CC=C21 |
|
TCMBANKIN000448 |
9-Ethoxyaristolactone |
122739-10-0; 5H-Furo(4',3',2':1,10)phenanthro(3,4-d)-1,3-dioxol-5-one, 7-ethoxy-8-methoxy-; 9-Ethoxy-aristololactone |
C19H14O6 |
338.31 |
CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)O2)OCO5 |
|
TCMBANKIN000467 |
8α-acetylfuranodiene |
|
|
274.39 |
|
|
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 |
|
TCMBANKIN000473 |
paeonin,a |
|
|
372.41 |
|
|
TCMBANKIN000489 |
1,3-dimethoxy-2-carboxyanthraquinone |
|
C17H12O6 |
312.27 g/mol |
COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC)C(=O)O |
|
TCMBANKIN000523 |
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate |
(E)-3-phenylprop-2-enoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate; (E)-3-phenylacrylic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester |
|
310.37 |
|
|
TCMBANKIN000599 |
1,2,3,7-Tetramethylindole |
STK249660; 1,2,3,7-Tetramethyl-1H-indole |
C12H15N |
173.25 g/mol |
CC1=C2C(=CC=C1)C(=C(N2C)C)C |
|
TCMBANKIN000631 |
Onjixanthone I |
7-hydroxy-1,2,3-trimethoxy-xanthone; AC1NSZAM; 7-hydroxy-1,2,3-trimethoxy-9-xanthenone; onjixanthone i; 7-hydroxy-1,2,3-trimethoxyxanthen-9-one; 7-hydroxy-1,2,3-trimethoxy-xanthen-9-one |
C16H14O6 |
302.28 g/mol |
COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)OC)OC |
|
TCMBANKIN000644 |
Lucidumoside D_qt |
|
C27H36O13 |
568.57 |
|
|
TCMBANKIN000713 |
Columbin |
546-97-4; Tinosporin; columbin; C09077 |
C20H22O6 |
358.39 |
CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5 |
|
TCMBANKIN000725 |
4,4'-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol) |
phenol, 4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis[2-methoxy-; InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H; 4-[(1R,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenol; 4-[(1R,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenol; PINORESINOL MFC20 H22 O6 |
C20H22O6 |
358.39 |
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN000791 |
Herbacetin |
DTXSID70415061; ZINC6536276; 8-Hydroxykaempferol; AK608438; FT-0688291; 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 8144AH; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3,4',5,7,8-Pentahydroxyflavone; MolPort-019-998-217; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; C02806; A829256; Herbacetin, >=98% (HPLC); ZDOTZEDNGNPOEW-UHFFFAOYSA-N; SCHEMBL872691; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113149; 527-95-7; Ambap527-95-7; herbacetin; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; D09YVT; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 3,5,7,8,4'-Pentahydroxyflavone; MFCD00210585; BDBM50304350; PubChem9861; 4H-1-Benzopyran-4-one,3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; AC1NQX74; AKOS030573690; CHEMBL611029 |
C15H10O7 |
302.24 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O |
|
TCMBANKIN000794 |
Senkyunolide G |
SCHEMBL10823272; 94530-85-5; 3-Butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; senkyunolide g; SenkyunolideG; (3S)-3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one; (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; AKOS032949111 |
C12H16O3 |
208.25 |
CCCCC1(C2=C(C=CCC2)C(=O)O1)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 |
|
TCMBANKIN000898 |
Uralene |
5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavone; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-4-chromenone; 2-(4,5-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl)-5,6-dihydroxy-3-methoxy-4H-chromen-4-one; SCHEMBL3977970; LMPK12111615; 4',5,5',6-tetrahydroxy-3-methoxy-2'-prenylflavone; AC1Q6E0V; AKOS030553602; uralene; 4H-1-Benzopyran-4-one, 2-(4,5-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-5,6-dihydroxy-3-methoxy-; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromen-4-one; AC1L4UEU; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromone; 150853-99-9; 2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; AK583653; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one |
C21H20O7 |
384.38 |
CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C |
|
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 |
|
TCMBANKIN000931 |
euphornin F |
|
C29H38O7 |
498.61 |
|
|
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 |
|
TCMBANKIN000991 |
dan-shexinkum b |
|
|
280.34 |
|
|
TCMBANKIN001075 |
1-hydroxy-7-hydroxymethylanthracenequinone |
|
|
254.25 |
|
|
TCMBANKIN001076 |
7-methyl-4-methylethenyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
|
|
190.36 |
|
|
TCMBANKIN001137 |
C09495 |
13476-25-0 |
C15H16O4 |
260.29 |
CC1=CCCC23C(O2)C(C4=C(C1)OC=C4C)OC3=O |
|
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 |
|
TCMBANKIN001247 |
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl- |
(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one |
C13H18O |
190.28 g/mol |
CC1(CC=C2CCCC2=CC(=O)C1)C |
|
TCMBANKIN001271 |
corysamine |
|
C20H16NO4+ |
334.3 g/mol |
CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC6=C(C=C5CC4)OCO6)OCO3 |
|
TCMBANKIN001288 |
3'(S)-Acetoxy-4'(R)-hydroxy-3',4'-dihydroxanthyletin |
[(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate; acetic acid [(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; 3'(s)-acetoxy-4'(r)-hydroxy-3',4'-dihydroxanthyletin; [(6R,7S)-6-hydroxy-8,8-dimethyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate; acetic acid [(6R,7S)-6-hydroxy-2-keto-8,8-dimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester |
|
304.32 |
CC(=O)OC1C(C2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)O |
|
TCMBANKIN001290 |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)anthracene-9,10-dione |
C17H14O6 |
314.29 g/mol |
COCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O |
|
TCMBANKIN001304 |
nerohdyl acetate |
|
|
264.45 |
|
|
TCMBANKIN001306 |
citrusin A_qt |
|
|
376.44 |
|
|
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 |
|
|
TCMBANKIN001349 |
C09704 |
ZINC01531550; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-; EINECS 214-276-7; (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; (S-(E))-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; 1119-38-6; LMPR01030037 |
C15H26O |
222.37 |
CC(=CCCC(=CCCC(C)(C=C)O)C)C |
|
TCMBANKIN001392 |
Centauroside_qt |
|
|
434.48 |
|
|
TCMBANKIN001398 |
(2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran |
(2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-oxolane; (2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran; (2S,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane |
C24H32O7 |
432.51 |
|
|
TCMBANKIN001422 |
7,10-Octadecadienoic acid |
|
C16H30O2 |
254.41 |
CCCCCCCC=CCC=CCCCCCC(=O)O |
|
TCMBANKIN001432 |
kuwanon U |
|
C26H30O6 |
438.51 |
CC(=CCCC(=CCC1=CC(=C(C=C1OC)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
|
TCMBANKIN001448 |
1,5,8-trimethyl-1,2-dihydronaphthalene |
1,5,8-trimethyl-1,2-dihydro-naphthalene |
|
172.29 |
|
|
TCMBANKIN001478 |
Riddelline |
riddelline |
C18H23NO6 |
349.38 |
CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O |
|
TCMBANKIN001511 |
bisdehydrotuberostemonine B |
|
|
371.52 |
|
|
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 |
|
|
TCMBANKIN001602 |
andrographidine B_qt |
|
|
330.31 |
|
|
TCMBANKIN001607 |
Coelogin |
CHEBI:3806; DTXSID50331912; 82358-31-4; C10251; AC1L9D92; coelogin |
C17H16O5 |
300.31 |
COC1=C(C(=C2COC3=CC(=CC4=C3C2=C1CC4)O)O)OC |
|
TCMBANKIN001624 |
stemoninine B |
|
|
387.52 |
|
|
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 |
|
TCMBANKIN001735 |
diosbuilbin M |
|
|
360.39 |
|
|
TCMBANKIN001744 |
Delphin_qt |
|
|
303.26 |
|
|
TCMBANKIN001763 |
(E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein |
(E)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-8-chromenyl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-chromen-8-yl)prop-2-enal |
C23H16O7 |
404.37 |
|
|
TCMBANKIN001765 |
diosbulbin G |
|
C19H22O6 |
346.37 |
CC12CC(OC(=O)C1CC3C4C2CC(CC4C(=O)O3)O)C5=COC=C5 |
|
TCMBANKIN001788 |
clusin |
|
C22H26O7 |
402.4 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4 |
|
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 |
|
TCMBANKIN001815 |
trifolin |
LMPK12111663; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Trifolin; C12626; MEGxp0_000499; Kaempferol 3-O-beta-D-galactoside; Kaempferol-3-O-galactoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; ACon1_000322; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
C21H20O11 |
448.4 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN001843 |
caseanidine |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN001872 |
4-[(2S,3R)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol |
4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol; 4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol |
C20H22O6 |
358.39 |
|
|
TCMBANKIN001873 |
Kadsurenin B |
AC1NSX8S; (6R)-7-(1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one; kadsurenin b |
|
342.42 |
CC1C(C2C(C1(C=C(C2=O)CC=C)OC)O)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN001885 |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one; (3R,4R)-3,4-bis(3,4-dimethoxybenzyl)tetrahydrofuran-2-one; (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-tetrahydrofuranone |
C13H22O |
194.31 |
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC |
|
TCMBANKIN001890 |
cis-ligustilide |
(3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one; (3E)-3-butylidene-4,5-dihydroisobenzofuran-1-one |
C12H14O2 |
190.24 |
CCCC=C1C2=C(C=CCC2)C(=O)O1 |
|
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 |
|
TCMBANKIN001937 |
Gentisein |
NSC 329491; ACM529497; 9H-Xanthen-9-one, 1,3,7-trihydroxy-; BDBM50155446; gentisein; 1,3,7-Trihydroxy-xanthen-9-one; ZINC6094144; 1,3,7-Trihydroxy-9H-xanthen-9-one, 9CI; CHEBI:5323; BRN 0384687; AKOS022662257; MolPort-022-397-026; 1,3,7-trihydroxyxanthen-9-one; C10065; AIDS-122703; 1,3,7-trihydroxy-9-xanthenone; Xanthen-9-one, 1,3,7-trihydroxy-; Gentisein(NSC 329491); 529-49-7; CHEMBL361025; AK199105; DTXSID20200944; AC1NQYS4; LS-162507; CCRIS 4008; NSC329491; 1,3,7-trihydroxy-9H-xanthen-9-one; 1,3,7-Trihydroxyxanthone; AIDS122703; SCHEMBL2315926; XANTHONE DERIV; NSC-329491 |
C13H8O5 |
244.2 |
C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN001945 |
(Z)-nonadec-6-enoic acid |
|
|
296.55 |
|
|
TCMBANKIN001990 |
Norswertianin |
norswertianin; 9H-Xanthen-9-one, 1,2,6,8-tetrahydroxy-; 1,3,7,8-Tetrahydroxyxanthone; 1,2,6,8-Tetrahydroxy-xanthen-9-one; CHEBI:7637; AC1NQYTY; 1,2,6,8-Tetrahydroxy-9H-xanthen-9-one; CHEMBL187043; 9H-Xanthen-9-one, 1,2,6,8-tetrahydroxy- (9CI); Xanthen-9-one, 1,2,6,8-tetrahydroxy-; Norswetianin; 1,2,6,8-Tetrahydroxyxanthone; 5-18-05-00185 (Beilstein Handbook Reference); CTK4E8821; BDBM50155434; AK594687; 1,2,6,8-tetrahydroxyxanthen-9-one; AKOS030562783; C10088; 22172-15-2; DTXSID90176708; LS-162505; 1,2,6,8-tetrahydroxy-9-xanthenone; BRN 0270047; 9H-Xanthen-9-one,1,2,6,8-tetrahydroxy- |
C13H8O6 |
260.2 |
C1=CC2=C(C(=C1O)O)C(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN002016 |
icariside C1 |
icariside c1 |
C21H38O8 |
418.52 |
CC(=CCCC(C)(C=C)O)CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN002025 |
(1R,3R,4R,5S,6S)-1-acetoxy-8-angeloxoyloxy-3,4-epoxy-5-hydroxybisabola-7(14),10-dien-2-one |
|
|
406.52 |
|
|
TCMBANKIN002067 |
methyl 2,4-dimethoxy-6-methylbenzoate |
Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester; ST5408056; methyl 2,4-dimethoxy-6-methyl-benzoate; 2,4-dimethoxy-6-methylbenzoic acid methyl ester; o-Toluic acid, 4,6-dimethoxy-, methyl ester; 2,4-dimethoxy-6-methyl-benzoic acid methyl ester; ZINC02149958 |
C11H14O4 |
210.23 |
CC1=CC(=CC(=C1C(=O)OC)OC)OC |
|
TCMBANKIN002132 |
methyl (E)-hexadec-2-enoate |
Methyl (2E)-2-hexadecenoate; 2-Hexadecenoic acid, methyl ester, (E)-; (E)-hexadec-2-enoic acid methyl ester; 29960-49-4; 2825-81-2; Methyl trans-2-hexadecenoate |
C17H32O2 |
268.4 g/mol |
CCCCCCCCCCCCCC=CC(=O)OC |
|
TCMBANKIN002148 |
METHYL PALMITOLEATE |
P9667_SIGMA; Methyl (Z)-hexadec-9-enoate; InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8; 76176_FLUKA; methyl (9Z)-hexadec-9-enoate; 9-Hexadecenoic acid, methyl ester, (Z)-; EINECS 214-303-2; 1120-25-8; Palmitoleic acid methyl ester; Methyl cis-9-hexadecenoate; (Z)-hexadec-9-enoic acid methyl ester; 9-hexadecenoic acid, methyl ester, (9Z)-; AI3-36450 |
C17H32O2 |
268.43 |
CCCCCCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN002154 |
7-O-Methylluteolin-6-C-beta-glucoside_qt |
|
|
318.3 |
|
|
TCMBANKIN002170 |
ST069309 |
2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid; Coumarin 343; EINECS 259-824-6; 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-; 393029_ALDRICH; Oprea1_370773 |
C9H6O2 |
146.14 |
C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1 |
|
TCMBANKIN002215 |
geranyl propionate |
Geranyl n-propanoate; (2E)-3,7-Dimethyl-2,6-octadienyl propionate; 27751-90-2; Geranyl propionate (natural); Geranyl propionate, natural; DTXSID8051540; SCHEMBL356537; BYCHQEILESTMQU-FMIVXFBMSA-N; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-; WE(8:2(2E,6E)(3Me,7Me)/3:0); FEMA No. 2517; Geranylpropionate; SCHEMBL356536; 6124AF; DSSTox_GSID_51540; Geranyl propionate, >95%, FCC, FG; Geranyl propanoate; AC1Q65TJ; EINECS 203-344-1; DB-040663; Geranyl propionate; W251712_ALDRICH; W251704_ALDRICH; 3,7-dimethylocta-2,6-dienyl propanoate; propanoic acid 3,7-dimethylocta-2,6-dienyl ester; Tox21_303994; CAS-105-90-8; Geranyl n-propionate; geranyl-n-propanoate; Trans-3,7-dimethyl-octa-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate; (E)-3,7-Dimethyl-2,6-octadienyl propionate; LMFA07010614; NSC 46138; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPANOATE, (E)-; NSC46138; DSSTox_CID_30092; GERANYL PROPIONATE FCC; 3,7-Dimethyl-2,6-octadienyl propionate, (E)-; propanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; 3,6-octadien-1-yl, propanoate; AC1NS88V; NCGC00357214-01; AKOS024319239; Propionic acid, geranyl ester; ST5410143; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; NSC-46138; LS-2773; J-525003; UNII-U9F1RPB24G; 3,7-dimethylocta-2,6-dien-1-yl propionate; propionic acid 3,7-dimethylocta-2,6-dienyl ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propionate; [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate; 3,7-dimethylocta-2,6-dien-1-yl propanoate; ZINC1677808; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-; propionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; 2, 3,7-dimethyl-, propanoate; Propionic acid 3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadien-1-yl, propanoate; Propionic acid, geranyl ester (6CI); CJ-27449; (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-; Geranyl propionate, natural, >=95%, FG; U9F1RPB24G; J-001499; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)- (8CI); trans-3,7-Dimethyl-2,6-Octadienyl propionate; AI3-24355; 105-90-8; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate; 3,7-Dimethyl-2,6-octadienyl propanoate, (E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl propionate |
C13H22O2 |
210.31 |
CCC(=O)OCC=C(C)CCC=C(C)C |
|
TCMBANKIN002258 |
Glepidotin A |
8-(3,3-Dimethylallyl)galangin; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one; 8-(3,3-DMA)galangin; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chromone; glepidotin a; 42193-83-9; 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromenone; 8-Prenylgalangin; C10049 |
C20H18O5 |
338.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)C |
|
TCMBANKIN002274 |
isohumbertiol-3-o-{α-L-rhamnopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)-[α-L-rhamnopyranosyl(1→6)]}-β-D-glucopyranoside_qt |
|
|
236.39 |
|
|
TCMBANKIN002281 |
eupatorin |
MolPort-001-742-461; 6-methoxyluteolin-4'',7-dimethyl ether; KBioSS_001517; SCHEMBL555597; EUPATORIN; 3J474AV6MY; Flavone, 3',5-dihydroxy-4',6,7-trimethoxy-; A1-01414; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; HMS3262O20; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-; KBio1_001963; MCULE-7438854859; ST50331588; AX8082670; SPBio_000532; KBio2_006653; Kinome_3214; Spectrum4_001833; AC1Q6AIH; ZINC1412; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; AKOS015856247; 3'',5-dihydroxy-4'',6,7-trimethoxy flavone; Flavone, 3',5-dihydroxy-4',6,7-trimethoxy- (8CI); ZB000328; NSC 106402; KBio2_001517; KBio2_004085; Spectrum2_000456; 3',6,7-trimethoxyflavone; KLAOKWJLUQKWIF-UHFFFAOYSA-N; 855-96-9; NSC106402; AC1L3Y1I; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4h-chromen-4-on; 6-Methoxyluteolin 4',7-dimethyl ether; W1625; Eupatorine; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one; 5,3'-Dihydroxy-6,7,4'-trimethoxyflavone; 3,5-dihydroxy-4,6,7-trimethoxyflavone; UNII-3J474AV6MY; DTXSID20234704; ST5331588; LMPK12111239; BDBM50344054; KBioGR_002532; MFCD00016929; FT-0614615; ACon1_001351; I14-111109; TR-026736; AK112334; NCGC00180598-01; 3'',5-DIHYDROXY-4'',6,7-TRIMETHOXYFLAVONE; 6-Methoxyluteolin 4 inverted exclamation marka,7-dimethyl ether; CHEBI:136666; AJ-08019; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy- (9CI); ST24044768; Eupatorin, >=97% (HPLC); ZINC00001412; Eupatorin, analytical standard; CTK8D4716; DivK1c_007019; 4H-1-Benzopyran-4-one,7-dimethoxy-; Flavone,5-dihydroxy-4',6,7-trimethoxy-; NCGC00261484-01; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone; CHEMBL487402; 4CN-1494; C-57546; SpecPlus_000923; Spectrum_001037; CCG-38698; 3',5-Dihydroxy-4',6,7-trimethoxyflavone; 3 inverted exclamation marka,5-Dihydroxy-4 inverted exclamation marka,6,7-trimethoxyflavone; Tox21_500799; Eupatorin; Spectrum5_000625 |
C18H16O7 |
344.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O |
|
TCMBANKIN002310 |
aeginetic acid |
aegineticacid |
C15H24O4 |
268.35 |
CC(=CC(=O)O)C=CC1(C(CCCC1(C)O)(C)C)O |
|
TCMBANKIN002345 |
Luteone |
CHEBI:27917; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; C10498; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone; 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-; Luteone (isoflavone); 6-isopentenyl-2'-hydroxygenistein; ACon1_000606; luteone; 41743-56-0; MEGxp0_000744; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone |
C20H18O6 |
354.35 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)C |
|
TCMBANKIN002408 |
tamariscina ester |
|
|
344.39 |
|
|
TCMBANKIN002452 |
methyl 8-methyl-decanoate |
|
C12H24O2 |
200.32 g/mol |
CCC(C)CCCCCCC(=O)OC |
|
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 |
|
|
TCMBANKIN002483 |
isoincensole,acetate |
|
|
334.55 |
|
|
TCMBANKIN002498 |
Dihydrobaicalin_qt |
|
|
272.27 |
|
|
TCMBANKIN002513 |
hirsutin_qt |
|
|
345.35 |
|
|
TCMBANKIN002530 |
sessilifoliamide C |
|
C17H25NO3 |
291.4 g/mol |
CCC(C1CCCCN2C1CCC2=O)C3C=C(C(=O)O3)C |
|
TCMBANKIN002539 |
pelargonidin |
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1lambda-chromen-1-ylium; Pelargonidin-3,5-diglucoside_qt; 7690-51-9; C05904; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium; XVFMGWDSJLBXDZ-UHFFFAOYSA-O; 3,4',5,7-Tetrahydroxyflavylium; anthocyanidin; pelargonidin 3,5-di-O-glycoside_qt; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium; CHEBI:25863; 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol; 2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,7-triol; LMPK12010003; CHEMBL591036; pelargonidin-3-O-glucoside_qt; pelargonidin-3,5-di-O-glucoside_qt; BDBM50121994; CHEMBL1197905; A806724; BDBM50326998; 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-; SCHEMBL20592; 134-04-3 (chloride); ZINC391840; Pelargonidin; AC1L9A0P; ZB012073 |
C15H11O5+ |
271.24 g/mol |
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O |
|
TCMBANKIN002588 |
centaureidin |
|
C18H16O8 |
360.3 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O |
|
TCMBANKIN002600 |
liriodendrin_qt |
7'-epi-(-)-syringaresinol |
C34H46O18 |
742.72 |
|
|
TCMBANKIN002605 |
(2R,3R)-4-methoxyl-distylin |
(2R, 3R)-4-methoxyl-distylin |
|
318.3 |
|
|
TCMBANKIN002635 |
4,5-dihydrofuranodiene-6-one |
|
|
232.35 |
|
|
TCMBANKIN002653 |
harpagoside_qt |
Harpagoside_qt |
|
332.38 |
|
|
TCMBANKIN002668 |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone |
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one; 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-chromenone |
C20H18O6 |
354.35 |
|
|
TCMBANKIN002723 |
7,2'-dihydroxy-5,8-dimethoxyflavone |
|
|
314.31 |
|
|
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 |
|
|
TCMBANKIN002803 |
futoamide |
|
C18H23NO3 |
301.38 |
CC(C)CNC(=O)C=CCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN002819 |
3-Methylcoumarin |
3-methyl-2-chromenone; 5-17-10-00165 (Beilstein Handbook Reference); BRN 0122776; EINECS 219-498-8; 3-methylchromen-2-one; Coumarin, methyl-; NCIOpen2_000275; EINECS 215-592-8; 2H-1-Benzopyran-2-one, 3-methyl- (9CI); 2H-1-Benzopyran-2-one, methyl-; 3-Methyl-2H-1-benzopyran-2-one; 2445-82-1; 1333-47-7; Methyl-2-benzopyrone; 2H-1-Benzopyran-2-one, 3-methyl-; Coumarin, 3-methyl-; NSC 65664; NSC65664 |
C10H8O2 |
160.17 g/mol |
CC1=CC2=CC=CC=C2OC1=O |
|
TCMBANKIN002824 |
glaucogenin,a |
glaucoside C_qt |
C41H62O15 |
794.92 |
|
|
TCMBANKIN002843 |
3β-acetoxyatractylone |
|
C17H22O3 |
274.35 |
|
|
TCMBANKIN002871 |
ISOPROPYL FORMATE |
EINECS 210-901-2; 625-55-8; propan-2-yl formate; InChI=1/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H; HSDB 6401; 1-Methylethyl formate; 476455_ALDRICH; Formic acid 1-methylethyl ester; Isopropyl methanoate; 4-02-00-00027 (Beilstein Handbook Reference); ZINC02031649; Formic acid, 1-methylethyl ester; propan-2-yl methanoate; Formic acid, isopropyl ester; BRN 1735844; AI3-15407; FEMA No. 2944; formic acid isopropyl ester |
C4H8O2 |
88.11 |
CC(C)OC=O |
|
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 |
|
TCMBANKIN002972 |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)-4-chromanone |
C18H18O6 |
330.33 |
|
|
TCMBANKIN002976 |
2,3-Butanediol, meso- |
(2R,3S)-butane-2,3-diol; 513-85-9; NSC2164; ZINC01767640; 18969_FLUKA; 5341-95-7; 361461_ALDRICH; 2,3-Butanediol, (R*,S*)-; erythro-2,3-Butanediol; ZINC01577184 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN002984 |
Militarin_qt |
|
C34H46O17 |
726.72 |
|
|
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 |
|
|
TCMBANKIN003075 |
zederone |
CHEBI:80915; 7727-79-9; AKOS032948437; C17085; Zederone |
C15H18O3 |
246.3 g/mol |
CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C |
|
TCMBANKIN003134 |
Pteleprenine |
6-methoxy-9-methyl-7-(3-methylbut-2-enyl)-[1,3]dioxolo[4,5-h]quinolin-8-one; 17232-50-7 |
C17H19NO4 |
301.34 |
CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C |
|
TCMBANKIN003147 |
semiaquilegine A |
|
|
330.44 |
|
|
TCMBANKIN003148 |
Teucvin |
12-epi-Teucvin; teucvin |
C19H20O5 |
328.36 |
CC1CC2C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)O2 |
|
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 |
|
TCMBANKIN003236 |
berchemiasideA |
|
|
340.36 |
|
|
TCMBANKIN003382 |
dalbergin |
2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-phenyl-; AC1L9DDQ; CHEMBL1829658; ZINC00899783; Dalbergin; TC-071472; AKOS015856200; 6-Hydroxy-7-methoxy-4-phenyl-chromen-2-one; ZB015167; ZINC899783; FT-0660660; LMPK12100003; 6-hydroxy-7-methoxy-4-phenylchromen-2-one; DTXSID60331943; 6-hydroxy-7-methoxy-4-phenyl-2H-chromen-2-one; C-54609; ST5308886; SCHEMBL620349; 6-hydroxy-7-methoxy-4-phenyl-chromen-2-one; CHEBI:4308; AZELSOYQOIUPBZ-UHFFFAOYSA-N; AK396227; CTK8D4059; 6-hydroxy-7-methoxy-4-phenyl-coumarin; ST50308886; 6-Hydroxy-7-methoxy-4-phenylcoumarin; 6-hydroxy-7-methoxy-4-phenyl-2-chromenone; MFCD00075721; KB-248863; C10414; 482-83-7 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN003384 |
plumb |
|
C14H22N2O |
|
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C |
|
TCMBANKIN003387 |
12-olide |
|
|
|
|
|
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 |
|
TCMBANKIN003441 |
melittoside_qt |
Danmelittoside_qt |
|
200.21 |
|
|
TCMBANKIN003451 |
DGN |
(2R)-2,5-diamino-5-oxopentanoic acid; C00819; ST5409906; NCGC00015472-01; 49410_FLUKA; NCGC00163333-01; CHEBI:17061; (2R)-2,5-diamino-5-oxo-pentanoic acid; 5959-95-5; InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10; (2R)-2-amino-4-carbamoylbutanoic acid; (2R)-2,5-diamino-5-keto-valeric acid; (R)-2,5-diamino-5-oxopentanoic acid; D-Glutaminsaeure-5-amid; D-2-Aminoglutaramic acid; G9003_SIGMA; D-Glutamine; D-Glutamin; Lopac-G-3126; D-Glutamic acid 5-amide |
C5H10N2O3 |
146.14 |
C(CC(=O)N)C(C(=O)O)N |
|
TCMBANKIN003488 |
Benzouracil |
AH-740/03933012; 1H-quinazoline-2,4-quinone; (1H,3H)Quinazoline dione-2,4; SMR000439476; (1H,3H)Quinazoline dione-2,4 [French]; 1,2,3,4-Tetrahydroquinazoline-2,4-dione; NSC 2108; 86-96-4; Benzoyleneurea; AIDS054314; Oprea1_764687; 2,4(1H,3H)-Quinazolinedione; ST5165565; EINECS 201-712-6; 142026_ALDRICH; ZINC00150158; Quinazolinedione; (1H,3H)-Quinazoline-2,4-dione; 2,4-Dioxotetrahydroquinazoline; MLS000762991; PDSP2_000044; Maybridge1_000647; 2.4(1H,3H)-Quinazolinedione; 2,4-Dihydroxyquinazoline; 1H-quinazoline-2,4-dione; NSC2108; PDSP1_000044; Quinazoline-2,4-dione; WLN: T66 BMVMVJ; Quinazoline-2,4-diol; Urea, benzoylene-; AI3-28016; SDCCGMLS-0065795.P001; InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12; AIDS-054314; 2-Keto-4-quinazolinone |
C8H6N2O2 |
162.15 |
C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
|
TCMBANKIN003528 |
4-[(1R,3aR,4R,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol |
4-[(1R,3aR,4R,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol |
|
418.48 |
|
|
TCMBANKIN003592 |
(E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester |
methyl (E)-2-[(1S,6S,7S,8aS)-6-ethyl-2'-oxo-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxo-spiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate; (E)-2-[(1S,6S,7S,8aS)-6-ethyl-2'-oxo-7-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]yl]-3-methoxyprop-2-enoic acid methyl ester |
C22H28N2O4 |
384.47 |
|
|
TCMBANKIN003601 |
Physcion-9-O-beta-D-glucopyranoside_qt |
|
|
300.28 |
|
|
TCMBANKIN003619 |
2-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate |
(E)-2-methylbut-2-enoic acid [1-methyl-1-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethyl] ester; ZINC02160398; [1-methyl-1-[(2S)-7-oxo-2,3-dihydrofuro[4,5-g]chromen-2-yl]ethyl] (E)-2-methylbut-2-enoate; 19662-71-6; (E)-2-methylbut-2-enoic acid [1-[(2S)-7-keto-2,3-dihydrofuro[4,5-g]chromen-2-yl]-1-methyl-ethyl] ester |
C19H20O5 |
328.36 |
CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
|
TCMBANKIN003654 |
Neryl butyrate |
999-40-6; 3,7-Dimethyl-2,6-octadienyl butanoate, cis-; 3,7-Dimethyl-2,6-octadienyl butanoate, (Z)-; [(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate; Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; Neryl butyrate (natural); Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, Z)-; Nonyl n-butyrate; butanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; 3,7-Dimethyl-2,6-octadienyl butyrate, (Z)-; EINECS 213-660-1; BUTANOIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (Z)-; FEMA No. 2774; Neryl butanoate; W277401_ALDRICH; butyric acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester |
C14H24O2 |
224.34 |
CCCC(=O)OCC=C(C)CCC=C(C)C |
|
TCMBANKIN003665 |
evoden |
|
|
|
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
|
TCMBANKIN003690 |
terrestriamide |
|
C18H17NO5 |
327.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O |
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003777 |
neohesperidin_qt |
|
C28H34O15 |
610.56 |
|
|
TCMBANKIN003779 |
cynanoside,d_qt |
|
|
344.44 |
|
|
TCMBANKIN003793 |
Phellavin_qt |
phellavin_qt |
|
374.42 |
|
|
TCMBANKIN003805 |
TDA |
91988_FLUKA; NSC 69131; 4-02-00-01117 (Beilstein Handbook Reference); NSC 25955; EINECS 211-341-1; T0502_SIGMA; (C10-C16)Alkylcarboxylic acid; EINECS 268-105-6; Tridecanoic acid; LMFA01010013; NSC69131; AI3-04166; 638-53-9; 68002-90-4; Fatty acids, C10-16; (C10-C16) Carboxylic acid; n-Tridecanoic acid; NCIOpen2_003250; WLN: QV12; n-Tridecoic acid; TRIDECYLIC ACID; CHEBI:45919; BRN 0508317; NSC25955 |
C13H26O2 |
214.34 |
CC1=C(C=C(C=C1)N)N |
|
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 |
|
TCMBANKIN003879 |
Heptadecenoic acid |
26265-99-6; LMFA01030059; (E)-heptadec-2-enoic acid; 2-heptadecenoic acid; 2-heptadecylenic acid |
C15H28O2 |
240.38 g/mol |
CCCCCCCCCCCCC=CC(=O)O |
|
TCMBANKIN003886 |
phenanthrone |
|
C14H10O |
194.23 g/mol |
C1C2=CC=CC=C2C3=CC=CC=C3C1=O |
|
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 |
|
|
TCMBANKIN003904 |
Ammiol |
7-(hydroxymethyl)-4,9-dimethoxy-pyrano[3,2-f][1]benzoxol-5-one; 5H-Furo[3,2-g][1]benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-; 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-; 7-(hydroxymethyl)-4,9-dimethoxypyrano[3,2-f][1]benzoxol-5-one; 4,9-dimethoxy-7-methylol-pyrano[3,2-f]benzofuran-5-one; 7-(Hydroxymethyl)-4,9-dimethoxy-5H-furo(3,2-g)(1)benzopyran-5-one; ammiol; 7-(hydroxymethyl)-4,9-dimethoxy-pyrano[3,2-f]benzofuran-5-one; 7-(hydroxymethyl)-4,9-dimethoxy-5-pyrano[3,2-f]benzofuranone; 668-10-0 |
C14H12O6 |
276.24 |
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO |
|
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 |
|
TCMBANKIN003941 |
EGENINE |
(-)-7'-O-methylegenine |
C20H19NO6 |
369.37 |
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3 |
|
TCMBANKIN003974 |
Strictosamide_qt |
|
C26H30N2O8 |
498.52 |
|
|
TCMBANKIN004021 |
salviacoccin |
|
|
356.4 |
|
|
TCMBANKIN004026 |
3-Phenyldecane |
(3-Decyl)benzene; CTK4I9250; Benzene,(1-ethyloctyl)-; 3-phenyldecane; 4621-36-7; decan-3-ylbenzene; AC1L2GWI; Decane, 3-phenyl-; PYVIFMPVFLOTLN-UHFFFAOYSA-N; (1-ETHYLOCTYL)BENZENE; (decan-3-yl)benzene; CHEBI:87601; Benzene, (1-ethyloctyl)- |
C16H26 |
218.38 |
CCCCCCCC(CC)C1=CC=CC=C1 |
|
TCMBANKIN004083 |
dehydrodiscretamine |
Dehydrodiscretamine |
C19H18NO4+ |
324.3 g/mol |
COC1=CC2=C3C=C4C=CC(=C(C4=C[NH+]3CCC2=CC1=O)OC)O |
|
TCMBANKIN004089 |
8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one |
2H-1-Benzopyran-2-one, 8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-; InChI=1/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; STOCK1N-14640; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; ZINC04027246; EINECS 208-355-5; ACon1_000325; MEGxp0_000484; 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; AIDS-224553; 7-hydroxy-6-methoxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; AIDS224553 |
C16H18O10 |
370.31 |
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN004129 |
9alpha-hydroxyfraxinellone-9-o-beta-d-glucoside_qt |
|
|
262.33 |
|
|
TCMBANKIN004146 |
13-methyldehydrocorydalmine |
|
|
352.44 |
|
|
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 |
|
|
TCMBANKIN004202 |
Pranferol |
4-[(2R)-2-hydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one; 4-[(2R)-2-hydroxy-3-methylbutoxy]-7-furo[3,2-g]chromenone; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2-hydroxy-3-methylbutoxy)-, (-)-; 14685-06-4; 4-[(2R)-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one |
C16H16O5 |
288.3 |
CC(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
|
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 |
|
|
TCMBANKIN004380 |
disocorynoline |
d-isocorynoline |
|
353.4 |
|
|
TCMBANKIN004431 |
senkirkine |
|
C19H27NO6 |
365.42 |
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C |
|
TCMBANKIN004455 |
4,7-dihydroxy-1-p-hydroxybenzyl-2-methoxy-9,10-dihydrophenanthrene |
|
|
348.42 |
|
|
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 |
|
|
TCMBANKIN004592 |
Robinetin |
NSC-656274; WLN: T66 BO EVJ CR CQ DQ EQ& DQ IQ; 3,3'',4'',5'',7-pentahydroxy flavone; SR-05000002311-2; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; EINECS 207-709-6; LS-69031; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl); 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone; ST24041297; NSC407331; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); KB-234373; 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; AK112322; 5-Hydroxyfisetin; AKOS016009494; W1691; UNII-KJ6DBC4U7E; BDBM50033767; MFCD00016783; NCGC00163615-01; NSC-407331; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; SOEDEYVDCDYMMH-UHFFFAOYSA-N; NSC656274; Flavone,3',4',5',7-pentahydroxy-; 5-Deoxymyricetin; LMPK12111577; robinetin; 5-18-05-00562 (Beilstein Handbook Reference); SCHEMBL217743; CCG-208323; FT-0724738; ST50309242; CHEBI:8876; 4CN-0354; AX8150478; NSC 656274; MolPort-004-960-055; 3,7,3',4',5'-pentahydroxyflavone; ZINC4098600; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; BRN 0308905; AIDS071290; SR-05000002311; NSC 407331; 3,3',4',5',7-Pentahydroxyflavone; CCRIS 7520; FLAVONE, 3,3',4',5',7-PENTAHYDROXY-; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; 3,7-Dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one; 490-31-3; C10177; AIDS-071290; CHEMBL170405; Norkanugin; AC1NQYWM; ST5309242; MCULE-2330347941; DTXSID30197654; KJ6DBC4U7E; D07NAY; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-; 3,7,3',4',5'-Pentahydroxuflavone; AJ-48014; 3,7,3'',4'',5''-Pentahydroxyflavone |
C15H10O7 |
302.24 |
C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O |
|
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 |
|
TCMBANKIN004707 |
phosphatidic acid |
|
C35H69O8P |
648.9 g/mol |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC |
|
TCMBANKIN004724 |
scrophuloside A_qt |
|
|
374.42 |
|
|
TCMBANKIN004763 |
2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol |
2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxy-phenol |
|
338.43 |
|
|
TCMBANKIN004782 |
(6S)-2-methyl-6-[(1R)-4-methyl-1-cyclohexa-2,4-dienyl]hept-2-en-4-one |
|
C15H22O |
218.33 |
|
|
TCMBANKIN004787 |
diosbulbin C |
diosbulbin c |
C19H22O7 |
362.4 g/mol |
CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5 |
|
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 |
|
|
TCMBANKIN004839 |
GCS |
AIDS000694; 14257-69-3; 6490-70-6 (.ALPHA.-FORM); C08349; KBioGR_000970; Spectrum5_000756; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; BSPBio_002086; beta-D-Glucosamine; KBio2_001311; IDI1_000261; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; KBio3_001306; CHEBI:28393; SPBio_000477; 90-77-7; NINDS_000261; (2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol; KBio2_003879; Spectrum2_000519; D-Glucose, 2-deoxy-2-Amino-; KBio1_000261; AIDS-000694; KBio2_006447; Spectrum3_000443; Spectrum4_000565; Spectrum_000831; KBioSS_001311; 28905-10-4 (.BETA-FORM); DivK1c_000261 |
C6H13NO5 |
179.17 |
C(C1C(C(C(C(O1)O)N)O)O)O |
|
TCMBANKIN004840 |
1-Peroxyferolide |
1-peroxyferolide; peroxyferolide; DTXSID40331789; CHEBI:666; AC1L9CJT; C09526; CHEMBL518136; 61228-73-7 |
C17H22O7 |
338.35 |
CC(=O)OC1CC(=C)C(CCC2(C(O2)C3C1C(=C)C(=O)O3)C)OO |
|
TCMBANKIN004860 |
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methoxy]coumarin |
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-decalinyl]methoxy]-2-chromenone; 7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one; 7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methoxy]chromen-2-one; ZINC04081322 |
C24H30O4 |
382.49 |
|
|
TCMBANKIN004875 |
(2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
(2R,3S,4S,5R)-2-ethoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol |
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN004890 |
Isobutyryl shikonin |
52438-12-7; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; ZINC1702730; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 2-METHYLPROPANOATE; CTK5J8655; MFCD00144512; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; SCHEMBL3298557; C17414; C-56533; 2-methylpropionic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; Isobutylshikonin; CHEBI:81070; AC1LA0S8; Isobutyrylshikonin; FT-0770577; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate; isobutyryl shikonin; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate; 2-methylpropanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; isobutyrylshikonin |
C20H22O6 |
358.4 g/mol |
CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN004963 |
(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
(4aR,7aS)-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
C9H12O3 |
168.19 |
|
|
TCMBANKIN005040 |
vincoside lactam_qt |
|
|
352.47 |
|
|
TCMBANKIN005067 |
(threo)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)_qt |
|
|
390.47 |
|
|
TCMBANKIN005070 |
isodidehydrotuberostemonine |
|
|
371.52 |
|
|
TCMBANKIN005090 |
7-hydroxy-8-(2-hydroxyethyl)coumarin |
7-hydroxy-8-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-8-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
TCMBANKIN005121 |
(2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; (2S,3S)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
|
386.38 |
|
|
TCMBANKIN005164 |
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
208.24 |
|
|
TCMBANKIN005217 |
Aminacrin |
KBioSS_001588; SPBio_001244; EINECS 201-995-6; BSPBio_002154; Spectrum4_000580; BRN 0141171; AI3-51012; KBio2_006724; 9-AA; 148651-03-0; Aminoacridinum; Izoacridina; Acridine, 9-amino-; 9-Aminoacridine; 10-Amino-5-azaanthracene; 8AD; 9-Aminoakridin [Czech]; KBio2_001588; NCGC00094857-01; SBB003606; NCGC00094857-02; Spectrum5_001498; Spectrum2_001112; 9AA; AIDS002624; SpecPlus_000861; Aminoacridine; KBio1_001901; acridin-9-ylamine; acridin-9-amine; SPECTRUM1500810; KBio3_001654; 9-Acridinamine; 5-22-11-00008 (Beilstein Handbook Reference); KBio2_004156; CCRIS 748; NSC 13000; 9-Acridinamine (9CI); Aminoacridina; DivK1c_006957; 7AD; AIDS-002624; Aminacrine; 90-45-9; 9-Aminoacridin; NSC 7571; WLN: T C666 BNJ IZ; Spectrum_001108; KBioGR_001020; NSC28747; 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE; NSC13000; Spectrum3_000617 |
C13H10N2 |
194.23 |
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N |
|
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 |
|
|
TCMBANKIN005365 |
indole-3-acetonitrile-6-o-β-D-glucopyranoside_qt |
|
|
172.2 |
|
|
TCMBANKIN005431 |
2-propenoic acid,3-(4'-hydroxyphenyl)-(4-carboxyl)-phenyl ester |
|
|
290.34 |
|
|
TCMBANKIN005444 |
2Z-hexadecenoic acid |
LMFA01030265; (Z)-hexadec-2-enoic acid |
C16H30O2 |
254.41 |
CCCCCCCCCCCCCC=CC(=O)O |
|
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 |
|
TCMBANKIN005653 |
Glypallichalcone |
(E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)-, (E)-; (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 4-Hydroxy-2,4'-dimethoxychalcone; AC1NSW0O; glypallichalcone; 4-Hydroxy-2,4/'-dimethoxychalcone; LMPK12120432; 146763-58-8 |
C17H16O4 |
284.31 |
COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)O)OC |
|
TCMBANKIN005669 |
2,3,4,7-tetramethoxyxanthone |
2,3,4,7-tetramethoxy-9-xanthenone; AIDS-073387; AIDS073387; 2,3,4,7-tetramethoxyxanthen-9-one; 9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-; NCI60_014913; NSC643978 |
C17H16O6 |
316.3 g/mol |
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC |
|
TCMBANKIN005741 |
Istidina |
EINECS 200-745-3; (S)-2-Amino-3-(4-imidazolyl)propionic acid; HISTIDINE, L-; 35558-59-9; S-Histidine; L-Histidin; Polyhistidine; (L)-Histidine; FEMA No. 3694; 54166-13-1; 53319_FLUKA; (2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid; AI3-26558; NSC 137773; 1H-Imidazole-4-propanoic acid, alpha-amino-, (S)-; H8000_SIAL; (S)-alpha-Amino-1H-imidazole-4-propionic acid; Histidine (USP/INN); 35479-49-3; L-Histidine, homopolymer; 6459-59-2 (MONOHYDROCHLORIDE); D00032; Histidina [INN-Spanish]; Histidine [USAN:INN]; 30641-68-0; (2S)-2-amino-3-(3H-imidazol-4-yl)propionic acid; H3911_SIAL; Lopac-H-8125; L-beta-(4-Imidazolyl)alanin; CHEBI:15971; C00135; Histidinum [INN-Latin]; H6034_SIGMA; Lopac0_000566; 155304-24-8; 26062-48-6; (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid; L-Alanine, 3-(1H-imidazol-4-yl)-; InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11; 150-35-6; (S)-4-(2-Amino-2-carboxyethyl)imidazole; Poly(L-histidine); L-Histidine (JAN); AIDS020253; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; AIDS-020253; 4-(2-Amino-2-carboxyethyl)imidazole; Histidine (VAN); 45955-20-2; 1H-Imidazole-4-alanine, (S)-; alpha-Amino-4(or 5)-imidazolepropionic acid; HSDB 1810; HIS NH3+ COOH; alpha-Amino-1H-imidazole-4-propionic acid, (S)-; Polyhiustidine; Imidazole C-4(5) deriv. 5; L-beta-(4-Imidazolyl)-alpha-alanin; NCGC00015518-01; Anti-rheuma |
C6H9N3O2 |
155.15 g/mol |
C1=C(NC=N1)CC(C(=O)O)N |
|
TCMBANKIN005871 |
9-Undecenoic acid,2,6,10-trimethyl- |
|
C14H26O2 |
226.35 g/mol |
CC(CCCC(C)C(=O)O)CCC=C(C)C |
|
TCMBANKIN005886 |
atratoglaucoside,b_qt |
|
|
374.47 |
|
|
TCMBANKIN005906 |
Tetrahydrocorysamine |
tetrahydrocorysamine; AKOS000277823 |
C20H19NO4 |
337.37 |
CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4 |
|
TCMBANKIN005952 |
geniposidie acid_qt |
Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt |
C16H22O10 |
374.34 |
|
|
TCMBANKIN005960 |
STOCK1N-53032 |
|
C18H19NO3 |
297.35 |
|
|
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 |
|
TCMBANKIN005989 |
Cyclokoreanine B |
cyclokoreanine b |
C27H46N2O |
414.67 |
CC(C1C(CC2(C1(C=CC34C2CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C)O)NC |
|
TCMBANKIN006027 |
cubebinone |
|
C23H26O8 |
430.45 |
COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN006028 |
brazilein |
|
C16H12O5 |
284.26 |
C1C2=CC(=C(C=C2C3=C4C=CC(=O)C=C4OCC31O)O)O |
|
TCMBANKIN006094 |
sanggenone H |
|
C20H18O6 |
354.35 |
CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
|
TCMBANKIN006097 |
1-acetoxy-6-hydroxy2-methylanthraquinone-3-O-α-rhamnosyl(1→4)-α-glucoside_qt |
|
|
310.32 |
|
|
TCMBANKIN006118 |
NEOPENTANE |
1,1,1-Trimethylethane; 2,2-Dimethylpropane [UN2044] [Flammable gas]; 463-82-1; BRN 1730722; EINECS 207-343-7; Tetramethylmethane; 2,2-Dimethylpropane; UN2044; tert-Pentane; HSDB 110; Propane, 2,2-dimethyl-; 4-01-00-00333 (Beilstein Handbook Reference); (CH3)4C; CHEBI:30358 |
C5H12 |
72.15 |
CC(C)(C)C |
|
TCMBANKIN006150 |
Euponin |
euponin; DTXSID70415122; 70469-59-9; CHEBI:4942; C09449 |
C20H24O6 |
360.4 |
CC=C(C)C(=O)OC1CC(=C2CC3C(C2C4C1C(=C)C(=O)O4)(O3)C)CO |
|
TCMBANKIN006201 |
elymoclavine |
|
C16H18N2O |
254.33 |
CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
|
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 |
|
TCMBANKIN006228 |
3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
3-[(4-keto-3,5-dimethoxy-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
|
350.4 |
|
|
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 |
|
TCMBANKIN006375 |
7-Acetoxy-2-methylisoflavone |
STOCK1N-08402; Oprea1_280944; acetic acid (2-methyl-4-oxo-3-phenyl-7-chromenyl) ester; acetic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester; 3211-63-0; 7-acetoxy-2-methylisoflavone; SMR000387028; ZINC00189892; Oprea1_018493; MLS001049043; NSC108339; (2-methyl-4-oxo-3-phenylchromen-7-yl) acetate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) ethanoate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) acetate |
C18H14O4 |
294.3 |
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3 |
|
TCMBANKIN006447 |
Xanthomicrol |
NCGC00169227-01; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one; NSC 79323; CTK4D2076; LMPK12111447; AIDS-071758; 3IN82Y8CAA; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-; CHEBI:35047; BDBM50412279; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-chromone; AC1Q6AJ4; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one; SCHEMBL6257160; AIDS071758; 4',5-dihydroxy-6,7,8-trimethoxyflavone; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-chromen-4-one; 16545-23-6; C14476; xanthomicrol; CHEMBL476121; UNII-3IN82Y8CAA; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-; 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4-chromenone; AK544883; LS-193898; DTXSID20167947; NSC79323; BRD-K34022850-001-01-8; AC1L2JGB; AKOS030525194; ACon1_000922 |
C18H16O7 |
344.32 |
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC |
|
TCMBANKIN006454 |
oxyresveratrol-2-O-β-D-glucopyranoside |
|
|
406.42 |
C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)C=CC3=CC(=CC(=C3)O)O |
|
TCMBANKIN006570 |
divaricataester,b |
|
|
346.41 |
|
|
TCMBANKIN006593 |
noririsflorentin |
|
C19H16O8 |
372.33 |
|
|
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 |
|
|
TCMBANKIN006653 |
dehydrocorydaline |
CHEBI:81342; BG01347441; LS-43470; FT-0624497; 10605-03-5 (chloride); 8095AH; ZINC597214; Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-; BERBINIUM, 7,8,13,13a-TETRADEHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-; MolPort-020-006-016; 9323AF; DHC; 30045-16-0; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl- (9CI); BRN 1556798; HY-N0674; AKOS030526131; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium; CHEMBL1917176; 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium; AK546656; C17790; Q-100383; AC1L1SAF; SCHEMBL14513602; N2090; Dehydrocorydaline; 5-21-06-00206 (Beilstein Handbook Reference); C22H24NO4; 3,4,10,11-TETRAMETHOXY-13-METHYL-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM; Dehydrocorydalin |
C22H24NO4+ |
366.4 g/mol |
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC |
|
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 |
|
|
TCMBANKIN006744 |
E-6-O-p-methoxycinnamoyl scandoside methyl ester_qt |
|
C26H30O13 |
550.51 |
|
|
TCMBANKIN006754 |
MLT |
NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 |
C4H6O5 |
134.09 |
C(C(C(=O)O)O)C(=O)O |
|
TCMBANKIN006769 |
1,6,7-Trihydroxy-3-methoxy-anthraquinone |
|
|
286.25 |
|
|
TCMBANKIN006807 |
Trimethylphosphine oxide |
Me3PO; hydroxy-trimethylphosphanium; dimethylphosphorylmethane; hydroxy-trimethylphosphonium; InChI=1/C3H9OP/c1-5(2,3)4/h1-3H; (CH3)3PO; EINECS 211-633-9; hydroxy-trimethyl-phosphanium; hydroxy-trimethyl-phosphonium; ZINC01845838; 676-96-0 |
C3H9OP |
92.08 |
CP(=O)(C)C |
|
TCMBANKIN006811 |
(6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
(6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione |
C18H16O5 |
312.32 |
|
|
TCMBANKIN006818 |
Propranolol, L- |
KBio3_000740; BPBio1_001200; KBioSS_000380; BPBio1_001236; KBio2_002948; NCGC00024813-03; BCBcMAP01_000208; KBio2_005516; (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; Prestwick2_001081; Bio2_000360; Prestwick3_001081; BSPBio_001040; PDSP2_000756; Lopac0_001023; EINECS 224-095-5; 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL; (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; BSPBio_001090; Prestwick0_001081; Tocris-0834; IDI1_002115; Prestwick3_001075; BSPBio_001122; (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; nchembio790-comp4; 4199-09-1; SPBio_003021; NCGC00024813-04; Bio2_000840; 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol; KBioGR_000380; NCGC00024813-01; Prestwick1_001081; KBio2_000380; PDSP1_000768; KBio3_000739 |
C16H21NO2 |
259.34 g/mol |
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O |
|
TCMBANKIN006824 |
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol |
(3R,5R)-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol |
C21H28O6 |
376.44 |
|
|
TCMBANKIN006833 |
Oxophorone |
ZINC03881445; 3,5,5-Trimethyl-2-cyclohexene-1,4-dione; 2,6,6-trimethylcyclohex-2-ene-1,4-quinone; 92410_FLUKA; BB_NC-0299; 6-Oxoisophorone; FEMA No. 3421; keto-Isophorone; ST5307762; 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-; 4-Oxo-alpha-isophorone; 329517_ALDRICH; 1125-21-9; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione; EINECS 214-406-2; Oxopholone; 2,6,6-Trimethylcyclohex-2-ene-1,4-dione; InChI=1/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H; Ketoisophorone; 4-Oxoisophorone; W342106_ALDRICH |
C9H12O2 |
152.19 |
CC1=CC(=O)CC(C1=O)(C)C |
|
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 |
|
|
TCMBANKIN006917 |
danshenspiroketallactoneii |
|
C17H16O3114 |
286.4 |
|
|
TCMBANKIN006987 |
Gulutamine |
25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) |
C5H9NO4 |
147.13 g/mol |
C(CC(=O)O)C(C(=O)O)N |
|
TCMBANKIN007080 |
(?)-epicatechin-pentaacetate |
|
C25H24O11 |
|
CC(=O)OC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
|
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 |
|
TCMBANKIN007097 |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinylquinuclidin-2-yl]methanol |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinyl-2-quinuclidinyl]methanol; (S)-[(4S,5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol |
C20H24N2O2 |
324.42 |
|
|
TCMBANKIN007130 |
Coleoside B_qt |
|
|
314.37 |
|
|
TCMBANKIN007145 |
14-acetoxy-7beta-senecioyloxy-notonipetranone |
|
|
406.57 |
|
|
TCMBANKIN007203 |
Akridin |
Benzo(b)quinoline; 2,3-Benzoquinoline; AI3-15279; Dibenzo(b,e)pyridine; Coal tar pitch volatiles: acridine; AC-907/21098007; Acridine; WLN: T C666 BNJ; 2,3,5,6-Dibenzopyridine; UPCMLD-DP077:001; AIDS-001427; UN2713; CHEBI:36420; ST5330595; 10-Azaanthracene; 260-94-6; 9-Azaanthracene; Dibenzo[b,e]pyridine; NSC 3408; EINECS 205-971-6; Acrydine; AIDS001427; Akridin [Czech]; 01640_FLUKA; CCRIS 1636; A23609_SIAL; 5-20-08-00199 (Beilstein Handbook Reference); NCGC00161635-01; ZINC01672534; InChI=1/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9; BRN 0120200; NSC3408; Benzo[b]quinoline; Acridine [UN2713] [Poison]; HSDB 634 |
C13H9N |
179.22 |
C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 |
|
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 |
|
TCMBANKIN007246 |
cniforin B |
cniforin b |
C23H26O7 |
414.45 |
|
|
TCMBANKIN007287 |
sinodielides A |
|
|
232.35 |
|
|
TCMBANKIN007464 |
3,4,8,10-tetrahydroxy-5H-chromeno[3,2-c]isochromen-7-one |
|
|
314.26 |
|
|
TCMBANKIN007466 |
8-(3-methylbut-2-enyl)-2-phenyl-chromone |
8-(3-methylbut-2-enyl)-2-phenylchromen-4-one; 8-(3-methylbut-2-enyl)-2-phenyl-4-chromenone; 8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one |
|
290.38 |
|
|
TCMBANKIN007479 |
Neouralenol |
2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-4-chromenone; 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one; XHGNOEWBXVPYDM-UHFFFAOYSA-N; 4H-Benzopyran-4-one, 2-(3,4-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-3,6,7-trihydroxy-; 139163-16-9; neouralenol; AC1NUP13; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxychromen-4-one; 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,6,7-trihydroxy-chromone; DTXSID10160947 |
C20H18O7 |
370.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=CC(=C(C=C3O2)O)O)O)C |
|
TCMBANKIN007498 |
arnebinone |
|
C18H22O4 |
302.36 |
CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C |
|
TCMBANKIN007508 |
(2S,3S,3aR)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one |
(2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one |
C20H20O5 |
340.37 |
|
|
TCMBANKIN007549 |
cynanoside,c_qt |
cynanoside,a_qt; cynanoside,b_qt |
|
362.46 |
|
|
TCMBANKIN007561 |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]pyrocatechol |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol |
C16H16O3 |
256.3 |
|
|
TCMBANKIN007587 |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)quinolin-2-one |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxo-but-3-enyl)quinolin-2-one; 3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-1-methyl-carbostyril; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)-2-quinolinone |
|
301.37 |
|
|
TCMBANKIN007630 |
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy] |
|
C13H24O3 |
228.33 |
|
|
TCMBANKIN007657 |
Podophyllotoxone |
477-49-6; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione; C10875; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone; podophyllotoxone |
C22H20O8 |
412.39 |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN007712 |
olibanumol,i |
|
|
428.77 |
|
|
TCMBANKIN007780 |
(+)-Medioresinol di-O-beta-D-glucopyranoside_qt |
|
|
388.45 |
|
|
TCMBANKIN007831 |
4,7-Dihydroxy-5-methoxyl-6-methyl-8-formyl-flavan |
4,7-dihydroxy-5-methoxyl-6-methyl-8-formyl-flavan |
C18H18O5 |
314.3 g/mol |
CC1=C(C(=C2C(=C1OC)C(CC(O2)C3=CC=CC=C3)O)C=O)O |
|
TCMBANKIN007850 |
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide |
SMR000008675; BAS 00342395; Benzamide, N-(2,5-dimethoxyphenyl)-4-methoxy-; N-(2,5-dimethoxyphenyl)-4-methoxy-benzamide; N-(2,5-Dimethoxy-phenyl)-4-methoxy-benzamide; Oprea1_081808; ZINC00335062; STK018033; Oprea1_488227; MLS000026764 |
C16H17NO4 |
287.31 g/mol |
COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC |
|
TCMBANKIN007868 |
asperulosidic acid_qt |
|
C32H39NO7 |
549.65 |
|
|
TCMBANKIN007905 |
Acetol |
Hydroxyacetone; Pyruvinalcohol; ZINC00895664; AI3-37788; Hydroxypropanone; 2-Propanone, 1-hydroxy-; 4-01-00-03977 (Beilstein Handbook Reference); BRN 0605368; WLN: Q1V1; Hydroxy-2-propanone; ACETYLCARBINOL; Acetone alcohol; 2-Oxopropanol; 2-Ketopropyl alcohol; 116-09-6; Pyruvic alcohol; ST5214599; 54142_FLUKA; 1-hydroxyacetone; 138185_ALDRICH; Methylketol; NSC 102497; 1-hydroxypropan-2-one; Methanol, acetyl-; C05235; NSC102497; EINECS 204-124-8; CHEBI:27957; 1-Hydroxy-2-propanone; Acetylmethanol; Hydroxymethyl methyl ketone |
C3H6O2 |
74.08 |
CC(=O)CO |
|
TCMBANKIN007992 |
Aspidinin |
aspidinin |
C21H26O7 |
390.4 g/mol |
CCCC1=CC(=O)C(C(=O)O1)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O |
|
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 |
|
TCMBANKIN008068 |
Leptodactylone |
C09271; 8-hydroxy-5,7-dimethoxy-coumarin; 61899-44-3; 8-hydroxy-5,7-dimethoxychromen-2-one; 8-hydroxy-5,7-dimethoxy-2-chromenone; 8-hydroxy-5,7-dimethoxy-chromen-2-one |
C11H10O5 |
222.19 |
COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC |
|
TCMBANKIN008084 |
Daturic acid |
67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid |
C17H34O2Pb |
478 g/mol |
CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
|
TCMBANKIN008138 |
(E)-1,7-bis-(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione |
|
|
370.43 |
|
|
TCMBANKIN008140 |
diosbulbin A |
diosbulbin a |
C20H24O7 |
376.4 |
CC12CC(OC13CC(C4C2CC(CC4C(=O)OC)O)OC3=O)C5=COC=C5 |
|
TCMBANKIN008254 |
Oxysanguinarine |
Hydroxysanguinarine; 548-30-1; CHEBI:31679; AC1L9F22; C12222; oxysanguinarine; DTXSID80203274; (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-14(13H)-one, 13-methyl-; dicyanide |
C20H13NO5 |
347.32 |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C6=C(C=C5)OCO6 |
|
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 |
|
|
TCMBANKIN008280 |
Xanthanoic acid |
NSC66208; Oprea1_658386; Xanthene-9-carboxylic acid; EINECS 201-394-9; 9H-Xanthene-9-carboxylic acid; Xanthenecarboxylic acid; RH 00001; 9H-Xanthene-9-carboxylic acid (9CI); Maybridge1_006340; NSC 66208; X406_ALDRICH; SR-01000640328-1; 82-07-5; 9-Xanthenecarboxylic acid |
C14H10O3 |
226.23 g/mol |
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O |
|
TCMBANKIN008293 |
Bilobanone |
bilobanone; (5S)-5-(5-isobutyl-3-furyl)-2-methyl-cyclohex-2-en-1-one; (5S)-5-(5-isobutyl-3-furyl)-2-methyl-1-cyclohex-2-enone; (5S)-2-methyl-5-[5-(2-methylpropyl)furan-3-yl]cyclohex-2-en-1-one |
C15H20O2 |
232.32 |
CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C |
|
TCMBANKIN008300 |
DMPEC |
6,7-Dimethoxy-2-[2-(4'-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 117596-92-6; 6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone |
C20H20O5 |
340.37 |
COC1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC)OC |
|
TCMBANKIN008303 |
3-Penten-2-one |
|
C5H8O |
84.12 g/mol |
CC=CC(=O)C |
|
TCMBANKIN008304 |
11-hydroxy-sec-o-beta-d-glucosylhamaudol_qt |
|
|
292.31 |
|
|
TCMBANKIN008326 |
7,10-PENTADECADIYNOIC ACID |
22117-06-2; 7,10-pentadecadiynoic acid; pentadeca-7,10-diynoic acid; 7,10-Pentadecadiynoicacid; ACM22117062; CTK1A4127; DTXSID60176634; 7,10-pentadecadiynoicacid; AC1L1KLG |
C15H22O2 |
234.33 |
CCCCC#CCC#CCCCCCC(=O)O |
|
TCMBANKIN008386 |
Methyl atratate |
Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; CBDivE_016254; 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester; beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester; beta-Resorcylic acid, 3,6-dimethyl-, methyl ester; MLS000517295; SMR000127412; 136218-95-6; EINECS 225-193-0; 4707-47-5; Methyl-3-methylorsellinate; Methyl beta-orcinolcarboxylate; Evernyl; Atraric acid;; Methyl beta-orcinolcarboxylate; Methyl 3,6-dimethylresorcylate; ZINC00239015; Methyl 2,4-dihydroxy-3,6-dimethylbenzoate; 2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester; methyl 2,4-dihydroxy-3,6-dimethyl-benzoate; .beta.-Resorcylic acid, 3,6-dimethyl-, methyl ester; ST5408246; AIDS097062; AIDS-097062; W523305_ALDRICH |
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN008393 |
brevicornin |
caohuoside D_qt |
C22H24O7 |
400.4 g/mol |
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)OC |
|
TCMBANKIN008402 |
leonuriside,b |
|
C25H38O16 |
594.56 |
|
|
TCMBANKIN008451 |
norbellidifolin |
|
|
262.23 |
|
|
TCMBANKIN008535 |
16-heptadecynoic acid |
LMFA01030487; heptadec-16-ynoic acid |
C17H30O2 |
266.4 g/mol |
C#CCCCCCCCCCCCCCCC(=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 |
|
|
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
|
TCMBANKIN008645 |
angeloylcumambrin B |
|
C20H26O5 |
346.42 |
|
|
TCMBANKIN008648 |
methyl,3-o-feruloylquinate |
|
|
366.4 |
|
|
TCMBANKIN008661 |
HEXATRIACONTANE |
630-06-8; Hexatriacontane; 442680_SUPELCO; AI3-52389; NSC407536; EINECS 211-127-8; 2040-92-8; n-Hexatriacontane; H12552_ALDRICH; 52920_FLUKA; 52919_FLUKA; NSC 407536 |
C36H74 |
506.97 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN008720 |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione |
|
340.4 |
|
|
TCMBANKIN008737 |
Eupalitin |
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-chromenone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; eupalitin; 29536-41-2 |
C17H14O7 |
330.29 |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN008748 |
7'-n-butanol-N-trans-feruloyloctopamine |
|
|
385.5 |
|
|
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 |
|
TCMBANKIN008796 |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol |
C20H24O4 |
328.4 |
|
|
TCMBANKIN008809 |
aurantio-obtusin,6-o-beta-d-glucoside_qt |
|
|
332.33 |
|
|
TCMBANKIN008855 |
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
360.4 |
|
|
TCMBANKIN008953 |
delta(sup 18)-Hirsutine |
(E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester; Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; 35467-43-7; (3-beta,16E)-16,17,18,19-Tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester; methyl (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; Corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester |
C22H26N2O3 |
366.45 |
COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
|
TCMBANKIN009006 |
isoterihanine |
|
|
334.37 |
|
|
TCMBANKIN009017 |
Threonin |
89179_FLUKA; 48: PN: WO2004076659 FIGURE: 7 claimed sequence; D00041; 13095-55-1; Threonine, L- (8CI); 7013-32-3; L-Threonin; (2S)-threonine; CHEBI:16857; Threonine (VAN); Treonina [Spanish]; THREONINE (L); Threoninum [Latin]; T8625_SIAL; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; 36676-50-3; Threonine (USP); (2S,3R)-2-Amino-3-hydroxybutyric acid; Threonine, labeled with carbon-14, L-; C00188; L-(U-14C)Threonine; L-Threonine (JP15); 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; NSC 16589; T8441_SIGMA; (S)-Threonine; Threonine [USAN:INN]; L-Threonine (9CI); EINECS 200-774-1; threonin; L-alpha-amino-beta-hydroxybutyric acid; (2S,3R)-2-amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; NSC 46701; (2S,3R)-2-amino-3-hydroxy-butanoic acid; T4071_SIAL; (2S,3R)-2-amino-3-hydroxy-butyric acid |
C4H9NO3 |
119.12 g/mol |
CC(C(C(=O)O)N)O |
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
TCMBANKIN009022 |
[(1S,5S,7S)-7-acetoxy-5-isopropenyl-2,8-dimethylene-cyclodecyl] acetate |
acetic acid [(1S,5S,7S)-7-acetoxy-5-isopropenyl-2,8-dimethylene-cyclodecyl] ester; acetic acid [(1S,5S,7S)-7-acetoxy-5-isopropenyl-2,8-dimethylenecyclodecyl] ester; [(1S,5S,7S)-7-acetyloxy-2,8-dimethylidene-5-prop-1-en-2-yl-cyclodecyl] ethanoate; [(1S,5S,7S)-7-acetyloxy-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecyl] acetate |
|
320.47 |
|
|
TCMBANKIN009035 |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
|
342.42 |
|
|
TCMBANKIN009064 |
PHA |
alpha-Aminohydrocinnamic acid, L-; C00079; NSC-9959; nchembio816-comp8; NCGC00013103; P2126_SIAL; beta-phenylalanine; FEMA No. 3585; Phenylalaninum [Latin]; NSC 79477; (S)-2-Amino-3-phenylpropanoic acid; (S)-2-Amino-3-phenylpropionic acid; L-Alanine, 3-phenyl-; NCGC00095047-01; (L)-Phenylalanine; Phenylalanine (VAN); (S)-alpha-Aminohydrocinnamic acid; alpha-Amino-beta-phenylpropionic acid, L-; (S)-alpha-Amino-benzenepropanoic acid; NCIStruc1_000204; Phenylalanine [USAN:INN:JAN]; Phenylalanine (USP/INN); 2-Amino-3-phenylpropionic acid, L-; NCI9959; MTY; 67675-33-6; EINECS 200-568-1; alpha-aminohydrocinnamic acid; (2S)-2-amino-3-phenyl-propionic acid; L-Phenylalanine (JP15); W358509_ALDRICH; Fenilalanina [Spanish]; CCRIS 6767; CHEBI:17295; (2S)-2-amino-3-phenylpropanoic acid; L-PHENYLALININE; NCGC00095047-02; Benzenepropanoic acid, alpha-amino-, (S)-; beta-Phenylalnine, (-)-; Hydrocinnamic acid, alpha-amino-; P8740_SIAL; 10549-09-4; (2S)-2-amino-3-phenyl-propanoic acid; 5297-02-9; P5482_SIGMA; LS-1515; (S)-(-)-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid; HSDB 1825; NCIStruc2_000248; beta-Phenyl-L-alanine; ST5406159; D00021; 78019_FLUKA; Phenylalanine, L-; NCGC00095047-04 |
C35H36N4O5 |
592.7 g/mol |
CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=C4O)C(=O)OC)C)C |
|
TCMBANKIN009095 |
O-acetyl-β-boswellic acid |
|
|
498.82 |
|
|
TCMBANKIN009098 |
luteolin-4'-O-β-D-glucoside |
|
C21H20O11 |
448.38 |
|
|
TCMBANKIN009159 |
farrerol |
Farrerol; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-chromanone; AC-20237; AKOS015965186; 24211-30-1; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-chroman-4-one; C09734 |
C17H16O5 |
300.3 g/mol |
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O |
|
TCMBANKIN009189 |
(S)-Scoulerine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
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 |
|
TCMBANKIN009297 |
2-methyl-butanol-1-ol |
|
|
104.17 |
|
|
TCMBANKIN009345 |
chrysin-7-O-glucuronide |
|
C21H18O10 |
430.36 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
|
TCMBANKIN009397 |
cynanoside,l_qt |
cynanoside,k_qt |
|
330.46 |
|
|
TCMBANKIN009411 |
Yinyanghuo C |
2-(2,2-dimethyl-6-chromenyl)-5,7-dihydroxy-4-chromenone; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-chromone; yinyanghuo c; 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-chromen-4-one |
C20H16O5 |
336.3 g/mol |
CC1(C=CC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C |
|
TCMBANKIN009420 |
Ethyl glucoside |
(2R,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; Glucoside, ethyl, D-; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol; 30285-48-4; beta-D-Glucopyranoside, ethyl; 3198-49-0; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; Ethyl D-glucoside; EINECS 250-112-0 |
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN009488 |
pinocarvone |
|
C10H14O |
150.22 |
CC1(C2CC1C(=C)C(=O)C2)C |
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009592 |
Salvigenin |
BG01616899; DTXSID90172629; 19103-54-9; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 5-Hydroxy-6,7,4'-trimethoxyflavone; BDBM50092613; LMPK12111166; 4CN-1814; flavone, 5-hydroxy-4',6,7-trimethoxy-; AKOS032948589; ZINC2561268; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 7-O-methylpectolinarigenin; 4H-1-Benzopyran-4-one,5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; SCHEMBL1427018; psathyrotin; QCDYOIZVELGOLZ-UHFFFAOYSA-N; J-012342; AC1L4P44; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; salvigenin; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromone; 5-hydroxy-4',6,7-trimethoxyflavone; AC1Q6AII; 4H-1-Bbenzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; MolPort-035-705-973; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; CTK4E0570; CHEMBL376644; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; W1622 |
C18H16O6 |
328.32 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
|
TCMBANKIN009598 |
Yinyanghuo E |
yinyanghuo e; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one |
C20H16O6 |
352.3 g/mol |
CC1(C=CC2=C(O1)C(=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
|
TCMBANKIN009629 |
tangshenoside I_qt |
|
C29H42O18 |
678.63 |
|
|
TCMBANKIN009630 |
formononetin-7-O-beta-D-glucoside |
|
C22H22O9 |
430.4 |
|
|
TCMBANKIN009672 |
Amurensin_qt |
|
C26H30O12 |
534.51 |
|
|
TCMBANKIN009693 |
Phaseolinisoflavan |
40323-57-7; 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol; phaseolinisoflavan; (-)-Phaseollinisoflavan; (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-; C10515; 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethylchromen-5-ol; 6-[(3R)-7-hydroxy-3-chromanyl]-2,2-dimethyl-5-chromenol |
C20H20O4 |
324.37 |
CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C |
|
TCMBANKIN009747 |
stepharine |
AC1LH1T2; Stepharine; ZINC26787150; CHEMBL463957 |
C18H19NO3 |
297.35 |
COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
|
TCMBANKIN009764 |
cynanogenin,a |
|
|
362.46 |
|
|
TCMBANKIN009775 |
Betavulgarin |
7-(2-hydroxyphenyl)-9-methoxy-8-pyrano[2,3-f][1,3]benzodioxolone; 7-(2-hydroxyphenyl)-9-methoxy-pyrano[2,3-f][1,3]benzodioxol-8-one; 7-(2-hydroxyphenyl)-9-methoxypyrano[2,3-f][1,3]benzodioxol-8-one; 51068-94-1; C10201 |
C17H12O6 |
312.27 |
COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O |
|
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 |
|
TCMBANKIN009874 |
geniposide_qt |
|
C17H24O10 |
388.37 |
|
|
TCMBANKIN009881 |
4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol |
4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol; 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-2,6-dimethoxyphenol; 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-oxolan-2-yl]-2,6-dimethoxy-phenol |
|
374.47 |
|
|
TCMBANKIN009903 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid_qt |
|
|
212.32 |
|
|
TCMBANKIN009923 |
Mulberrofuran A |
2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxy-phenyl]-1-benzofuran-6-ol; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxyphenyl]-6-benzofuranol; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxyphenyl]-6-benzofuranol; 68978-04-1; 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxy-phenyl]benzofuran-6-ol; SCHEMBL4742441; CHEBI:7017; mulberrofuran a; DTXSID50415105; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol; 2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-3-methoxyphenyl}-1-benzofuran-6-ol; C08846; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxy-phenyl]-1-benzofuran-6-ol; 2-[2-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3-methoxy-phenyl]benzofuran-6-ol; AC1NQYD7 |
C25H28O4 |
392.49 |
CC(=CCCC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C)C |
|
TCMBANKIN009990 |
Hemerocallone |
7-(2,5-dimethoxyphenyl)-9-methoxypyrano[2,3-f][1,3]benzodioxol-8-one; 7-(2,5-dimethoxyphenyl)-9-methoxy-8-pyrano[2,3-f][1,3]benzodioxolone; 7-(2,5-dimethoxyphenyl)-9-methoxy-pyrano[2,3-f][1,3]benzodioxol-8-one; hemerocallone |
C19H16O7 |
356.3 g/mol |
COC1=CC(=C(C=C1)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
|
TCMBANKIN009992 |
7-O-methylisomucronulatol |
7-o-methylisomucronulatol; 7-o-methyl isomucronulatol |
C18H20O5 |
316.3 g/mol |
COC1=CC2=C(CC(CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1 |
|
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 |
|
|
TCMBANKIN010067 |
Coniferyl diangelate |
AC1NSTT3; coniferyl diangelate; [(E)-3-[3-methoxy-4-[(Z)-2-methylbut-2-enoyl]oxy-phenyl]prop-2-enyl] (Z)-2-methylbut-2-enoate; [(E)-3-[3-methoxy-4-[(Z)-2-methylbut-2-enoyl]oxyphenyl]prop-2-enyl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(E)-3-[3-methoxy-4-[(Z)-2-methylbut-2-enoyl]oxy-phenyl]prop-2-enyl] ester; (Z)-2-methylbut-2-enoic acid [(E)-3-[3-methoxy-4-[(Z)-2-methyl-1-oxobut-2-enoxy]phenyl]prop-2-enyl] ester |
C20H24O5 |
344.44 |
CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C(=CC)C)OC |
|
TCMBANKIN010070 |
(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxychroman-4-one |
(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chroman-4-one; 68401-05-8; 4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-; (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-4-chromanone |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
|
TCMBANKIN010082 |
Methyl decenoate |
dodec-11-enoic acid methyl ester; 11-Dodecenoic acid, methyl ester; methyl dodec-11-enoate |
C13H24O2 |
212.33 |
COC(=O)CCCCCCCCCC=C |
|
TCMBANKIN010083 |
DIMETHYLQUINOLINE |
13362-80-6; 4,8-Dimethylquinoline; 28351-04-4; Quinoline, dimethyl-; Quinoline, 4,8-dimethyl- |
C11H11N |
157.21 g/mol |
CC1=C2C(=CC=C1)C(=CC=N2)C |
|
TCMBANKIN010184 |
methyl (E)-hexadec-7-enoate |
(E)-hexadec-7-enoic acid methyl ester; Methyl (7E)-7-hexadecenoate; 7-Hexadecenoic acid, methyl ester, (Z)- |
C17H32O2 |
268.4 g/mol |
CCCCCCCCC=CCCCCCC(=O)OC |
|
TCMBANKIN010198 |
Licoricone |
LMPK12050069; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromone; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; 51847-92-8; AKOS032949107; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(6-hydroxy-2,4-dimethoxy-3-(3-methyl-2-butenyl)phenyl)-; CHEBI:69094; 2',7-Dihydroxy-4',6'-dimethoxy-3'-prenylisoflavone; AIDS095918; CTK1H2337; AIDS-095918; T8X3270QWW; UNII-T8X3270QWW; AC1NSXJZ; licoricone; 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; ZINC14762987; C17765; 7-Hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methyl-but-2-enyl)-phenyl]-1-benzopyran-4-one |
C22H22O6 |
382.41 |
CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C |
|
TCMBANKIN010212 |
7-hydroxy-6-(2-hydroxyethyl)coumarin |
7-hydroxy-6-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-6-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
TCMBANKIN010237 |
camphorene |
|
|
272.52 |
|
|
TCMBANKIN010244 |
monocrotaline |
|
C16H23NO6 |
325.36 g/mol |
CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O |
|
TCMBANKIN010345 |
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromone |
7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-chromen-4-one; 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-one; 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4-chromenone |
|
314.31 |
|
|
TCMBANKIN010354 |
Cinchonan-9-al, 6'-methoxy-, (9R)- |
EINECS 209-340-6; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinyl-2-quinuclidinyl]methanol; (R)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; 572-59-8 |
C20H24N2O2 |
324.42 |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN010361 |
3-O-caffeoylshikimic acid |
3-o-caffeoylshikimic acid; 3-o-caffeoylshikimicacid |
C16H16O8 |
336.29 g/mol |
C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
|
TCMBANKIN010402 |
aldosterone |
|
C21H28O5 |
360.4 g/mol |
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=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 |
|
|
TCMBANKIN010477 |
erlangerin D |
|
C25H24O9 |
468.5 g/mol |
CC(=O)OC12C(C3=CC4=COC=C4C=C3CC1(COC2=O)O)C5=CC(=C(C(=C5)OC)OC)OC |
|
TCMBANKIN010532 |
3-(2-hydroxy-4-methoxy-phenyl)acrylic acid |
3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid |
C10H10O4 |
194.18 |
COC1=CC(=C(C=C1)C=CC(=O)O)O |
|
TCMBANKIN010538 |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one |
31524-62-6; (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromanone |
C20H20O4 |
324.37 |
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN010603 |
Dihydronitidine |
NITIDINE, DIHYDRO; 13063-06-4; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-; NSC254666; Nitidine, dihydro-; [1,3]Benzodioxolo[5,6-c]phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl- |
C21H19NO4 |
349.38 |
CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
|
TCMBANKIN010683 |
(E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-keto-spiro[indoline-3,1'-indolizidine]-7'-yl]-3-methoxy-acrylic acid methyl ester |
(E)-2-[(1R,6S,7S,8aS)-6-ethyl-2'-oxo-7-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]yl]-3-methoxyprop-2-enoic acid methyl ester; methyl (E)-2-[(1R,6S,7S,8aS)-6-ethyl-2'-oxo-spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-indoline]-7-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxo-spiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxy-prop-2-enoate; methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate |
|
384.52 |
|
|
TCMBANKIN010711 |
Quercetin tetramethyl(3',4',5,7) ether |
SDCCGMLS-0066515.P001; NCI60_000056; Spectrum2_000711; Spectrum5_000145; Spectrum3_001253; KBioSS_001264; SpecPlus_000312; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4-chromenone; BSPBio_002786; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromone; KBio2_006400; AIDS-126235; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy-; NCGC00095598-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy- (9CI); DivK1c_006408; NSC 102049; Spectrum_000784; NSC102049; KBio3_002286; 3-Hydroxy-3',4', 5,7-tetramethoxyflavone; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy- (8CI); KBio1_001352; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one; KBio2_003832; SPECTRUM300538; KBio2_001264; KBioGR_002045; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one; SPBio_000921; 3-Hydroxy-3',4',5,7-tetramethoxyflavone; Spectrum4_001473; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; AIDS126235; 1244-78-6 |
C19H18O7 |
358.34 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC |
|
TCMBANKIN010725 |
α-thujone |
alpha-thujone; α- thujone |
C10H16O |
152.23 |
CC1C2CC2(CC1=O)C(C)C |
|
TCMBANKIN010781 |
gomphreninI |
gomphrenin i; gomphreninII; Gomphrenin I |
C24H26N2O13 |
550.47 |
C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O |
|
TCMBANKIN010794 |
Hexahydroxytaxadiene |
hexahydroxytaxadiene |
|
368.52 |
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)O)O)C)O)O |
|
TCMBANKIN010818 |
N-Methylflindersine |
2,2,6-Trimethyl-2H,5H-pyrano[3,2-c]quinolin-5-one; NSC347659; MolPort-039-338-565; CHEMBL400130; SMR001874966; 2,2,6-trimethylpyrano[5,6-c]quinolin-5-one; 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-; AKOS028108463; 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-; 4CN-2980; 2,2,6-Trimethyl-2H,5H-pyrano(3,2-c)quinolin-5-one; 2,2,6-trimethyl-5-pyrano[5,6-c]quinolinone; 2,6-Dihydro-2,2,6-trimethyl-5H-pyrano(3,2-c)quinolin-5-one; AC1L2IQN; 2,2,6-trimethylpyrano[3,2-c]quinolin-5-one; C10731; ZINC900263; NSC-347659; NSC 347659; AC1Q2CW2; MLS003171057; CTK4J2456; n-methylflindersine; RJZFGBNKPOVCHQ-UHFFFAOYSA-N; 2,2,6-Trimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one #; CHEBI:7315; DTXSID40198374; 50333-13-6 |
C15H15NO2 |
241.29 |
CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C |
|
TCMBANKIN010844 |
Icaride A |
icaride a |
|
404.5 |
|
|
TCMBANKIN010845 |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4,5,6-trihydroxy-2-tetrahydropyrancarboxylic acid |
|
381.38 |
|
|
TCMBANKIN010852 |
Tuberosine B |
tuberosine b |
|
193.22 |
C1CNC2=CC=CC=C2C1(C(=O)O)O |
|
TCMBANKIN010876 |
uttroside a_qt |
8-O-acetyl shanzhiside methyl ester_qt |
C19H28O12 |
448.42 |
|
|
TCMBANKIN010878 |
leachianone,g |
|
|
356.4 |
|
|
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 |
|
|
TCMBANKIN011166 |
Mauritine D |
mauritine D |
C33H51N5O5 |
597.8 g/mol |
CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C |
|
TCMBANKIN011180 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one |
C20H18O6 |
354.35 |
|
|
TCMBANKIN011207 |
bisdehydrotuberostemonine C |
|
|
371.52 |
|
|
TCMBANKIN011220 |
Hexandraside E |
|
C32H38O16 |
678.6 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C |
|
TCMBANKIN011236 |
3-Methoxyherbacetin |
3-methoxyherbacetin; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-3-methoxy-chromone; 5,7,8,4'-Tetrahydroxy-3-methoxyflavone; LMPK12113152; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one; 3-Methylherbacetin; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-3-methoxy-chromen-4-one; AC1NSY3G; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-chromenone |
C16H12O7 |
316.26 g/mol |
COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC=C(C=C3)O |
|
TCMBANKIN011255 |
(2R,3R,3aS)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one |
(2R,3R,3aS)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one |
C20H20O5 |
340.37 |
|
|
TCMBANKIN011359 |
(3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-benzofuran-2,5-dione |
(3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2,5-dione; (3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-benzofuran-2,5-quinone |
C10H14O4 |
198.22 |
|
|
TCMBANKIN011390 |
Methyl palmitelaidate |
Methyl trans-9-hexadecenoate; (E)-9-Hexadecenoic acid, methyl ester; 76117_FLUKA; 10030-74-7; 9-Hexadecenoic acid, (E), methyl ester; (E)-hexadec-9-enoic acid methyl ester; P0203_SIGMA; Palmitelaidic acid methyl ester; hexadec-9-enoic acid methyl ester; methyl hexadec-9-enoate; methyl (E)-hexadec-9-enoate |
C17H32O2 |
268.43 |
CCCCCCC=CCCCCCCCC(=O)OC |
|
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 |
|
|
TCMBANKIN011449 |
baohuoside |
|
C27H30O10 |
|
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)OC)O)O)O |
|
TCMBANKIN011467 |
isodalbergin |
ZINC13339734; 7-hydroxy-6-methoxy-4-phenylchromen-2-one; AC1NSWZQ; 7-hydroxy-6-methoxy-4-phenyl-coumarin; 7-Hydroxy-6-methoxy-4-phenylcoumarin; Isodalbergin; 7-hydroxy-6-methoxy-4-phenyl-2-chromenone; LMPK12100007; 7-hydroxy-6-methoxy-4-phenyl-chromen-2-one; 605-09-4 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O |
|
TCMBANKIN011487 |
(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone |
(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one |
C21H26O5 |
358.43 |
|
|
TCMBANKIN011490 |
2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one |
|
|
327.32 |
|
|
TCMBANKIN011498 |
Bianfugecine |
7H-Dibenzo(de,h)quinolin-7-one, 5,9-dimethoxy-; bianfugecine; 96681-50-4; 5,9-Dimethoxy-7H-dibenzo(de,h)quinoline-7-one |
C18H13NO3 |
291.3 |
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=CC(=C43)C2=O)OC |
|
TCMBANKIN011531 |
Icariresinol |
icariresinol |
|
433.47 |
|
|
TCMBANKIN011548 |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (6S)-1,6-dimethyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
|
310.37 |
|
|
TCMBANKIN011577 |
Dihydroverticillatine |
dihydroverticillatine |
C25H29NO5 |
423.55 |
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O |
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN011629 |
Isolapachol |
isolapachol |
C15H14O3 |
242.27 |
CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
|
TCMBANKIN011656 |
toddaline |
chelerythrine; toddaline |
C21H18NO4+ |
348.4 g/mol |
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN011663 |
1,5,7-trihydroxy-6-methoxy-2-methoxymethylanthracenequinone |
|
|
330.31 |
|
|
TCMBANKIN011665 |
methyl (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate |
methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
C22H26N2O3 |
366.45 |
|
|
TCMBANKIN011692 |
bisdehydroneostemonine |
|
C18H21NO4 |
315.36 |
CC1C2C(CCCN3C2=CC=C3)OC1=C4C(=C(C(=O)O4)C)OC |
|
TCMBANKIN011697 |
theobromine |
KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649 |
C7H8N4O2 |
180.16 |
CN1C=NC2=C1C(=O)NC(=O)N2C |
|
TCMBANKIN011698 |
(1R,3aR,4R,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol |
(1R,3aR,4R,6aS)-1,4-bis(4-hydroxy-3-methoxy-phenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol |
|
374.42 |
|
|
TCMBANKIN011741 |
(E)-2-[(3-indole)cyanomethylene-]-3-indolinone |
|
C18H11N3O |
300.36 |
|
|
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 |
|
TCMBANKIN011772 |
(3R,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione |
(3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
|
|
TCMBANKIN011806 |
Acetovanillin |
ZINC00166877; NSC25863; (4-methanoyl-2-methoxy-phenyl) ethanoate; Benzaldehyde, 4-(acetyloxy)-3-methoxy-; W310808_ALDRICH; 4-(Acetyloxy)-3-methoxybenzaldehyde; ST5213429; acetic acid (4-formyl-2-methoxyphenyl) ester; 4-Formyl-2-methoxyphenol acetate; Vanillin acetate; NSC 8499; O-Acetylvanillin; Acetylvanillin; (4-formyl-2-methoxyphenyl) acetate; Vanillin, acetate; 4736-37-2; 881-68-5; NSC 25863; Vanillin, acetate (8CI); 258601_ALDRICH; (4-formyl-2-methoxy-phenyl) acetate; 4-O-Acetylvanillin; acetic acid (4-formyl-2-methoxy-phenyl) ester; 4-Formyl-2-methoxyphenyl acetate; FEMA No. 3108; NSC8499; EINECS 212-920-1; 4-Acetoxy-3-methoxybenzaldehyde |
C10H10O4 |
194.18 |
CC(=O)OC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN011863 |
Methyl 9-cyclopropylnonanoate |
9-cyclopropylpelargonic acid methyl ester; 9-cyclopropylnonanoic acid methyl ester; Cyclopropanenonanoic acid, methyl ester |
C13H24O2 |
212.33 g/mol |
COC(=O)CCCCCCCCC1CC1 |
|
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 |
|
TCMBANKIN011947 |
balsaminone A |
balsaminone B_qt |
C21H12O5 |
344.3 g/mol |
COC1=C(C2=CC=CC=C2C3=C1C4=C(O3)C(=O)C5=CC=CC=C5C4=O)O |
|
TCMBANKIN011977 |
Clupanodonic acid |
(4E,8E,11E,15E)-octadeca-4,8,11,15-tetraenoic acid; clupanodonic acid; clupanodonicacid |
C22H34O2 |
330.5 |
CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O |
|
TCMBANKIN012034 |
odoricarpin |
|
C18H18O6 |
330.33 |
|
|
TCMBANKIN012090 |
xanthogalenol |
|
C21H22O5 |
354.4 g/mol |
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)OC)C |
|
TCMBANKIN012102 |
(3R)-3-(2,3-dihydroxy-4-methoxyphenyl)chroman-7,8-diol |
(3R)-3-(2,3-dihydroxy-4-methoxy-phenyl)chroman-7,8-diol |
C16H16O6 |
304.29 |
|
|
TCMBANKIN012104 |
14-deoxy-12-methoxyandrographolide |
|
C21H32O5 |
364.5 g/mol |
CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)OC)(C)CO)O |
|
TCMBANKIN012278 |
1-beta-ethylacrylate-7-aldehyde-beta-carboline |
|
|
294.33 |
|
|
TCMBANKIN012291 |
n-butyl-α-D-fructopyranoside |
n butyl-α-D-fructopyranoside |
|
236.3 |
|
|
TCMBANKIN012310 |
lipoic acid |
|
C8H14O2S2 |
206.3 g/mol |
C1CSSC1CCCCC(=O)O |
|
TCMBANKIN012312 |
(E)-7-(1,3-benzodioxol-5-yl)-1-piperidino-hept-6-en-1-one |
(E)-7-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)hept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-hept-6-en-1-one |
C19H21NO3 |
311.37 |
|
|
TCMBANKIN012322 |
Isoeleutherol glucosiden_qt |
|
|
244.26 |
|
|
TCMBANKIN012330 |
Sesamolinol |
4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxyphenol; AC1L9DVK; (+)-sesamolinol; 4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxy-phenol; sesamolinol; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol; C10883; 100016-94-2; CHEBI:9127; DTXSID10332041; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxy-phenol |
C20H20O7 |
372.37 |
COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
|
TCMBANKIN012341 |
3-β-D-glucopyranosyloxy-5-phenylvaleric acid |
|
|
356.41 |
|
|
TCMBANKIN012367 |
2-(p-hydroxyphenyl)-ethanol-1-o-beta-d-apiofuranosyl,(1-6)-o-beta-d-glucopyranoside_qt |
|
|
390.41 |
|
|
TCMBANKIN012431 |
aloveroside_qt |
|
|
232.25 |
|
|
TCMBANKIN012462 |
acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-4-[2-(2-keto-3-pyrrolin-3-yl)ethyl]-3,4a,8,8-tetramethyl-decalin-1-yl] ester |
acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-1,5-dihydropyrrol-3-yl)ethyl]-1-decalinyl] ester; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-1,5-dihydropyrrol-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-1,5-dihydropyrrol-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] ethanoate; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-1,5-dihydropyrrol-3-yl)ethyl]decalin-1-yl] acetate |
|
377.58 |
|
|
TCMBANKIN012500 |
methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine |
N-methyl-2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethanamine; N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine |
C21H25NO4 |
355.43 |
CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC |
|
TCMBANKIN012507 |
dihydrokaempferide |
|
C16H14O6 |
302.28 |
COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN012542 |
Stephanine |
517-63-5; stephanine; stephanine ; 1,2-methylenedioxy-8-methoxyaporphine; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)- |
C19H19NO3 |
309.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3 |
|
TCMBANKIN012586 |
3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl acetate |
acetic acid 3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester; acetic acid 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-5-yl]propyl ester; 3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate; 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl ethanoate |
|
402.48 |
|
|
TCMBANKIN012636 |
tetrahydroalstonine |
Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 |
C21H25N2O3+ |
353.4 g/mol |
CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
|
TCMBANKIN012638 |
gibberellin 7 |
(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid; CHEBI:32903; Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-; EINECS 208-117-0; (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylic acid; GA7; 2beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid; (1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a-dihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone |
C19H22O5 |
330.4 g/mol |
CC12C(C=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O |
|
TCMBANKIN012719 |
tinoside_qt |
|
C26H32O11 |
520.53 |
|
|
TCMBANKIN012805 |
Cruex |
Caswell No. 901; C13910; Kyselina undecylenova [Czech]; Sevinon; Undecylenic acid (JAN/USP); 112-38-9; Undecenoic acid, omega-; 10-Hendecenoic; NCGC00159425-03; WLN: QV9U1; 10-Undecylenic acid; NCI60_001670; D02159; SBB009049; AIDS108286; 10-Hendecenoic acid; NSC2013; EPA Pesticide Chemical Code 085501; NSC 2013; omega-undecenoic acid; Kyselina 9-decen-1-karboxylova [Czech]; Undecylenic acid [JAN]; 10-Henedecenoic acid; EINECS 215-583-9; NCGC00159425-02; Declid; Renselin; W324701_ALDRICH; BRN 1762631; 94192_FLUKA; omega-hendecenoic acid; Desenex solution; CHEBI:35045; EINECS 203-965-8; 1-Undecenoic acid; component of Desenex; Desenex, solution; Undecyl-10-enic acid; Undecenoic acid; AI3-02065; AIDS-108286; FEMA No. 3247; Desenex; 124672_ALDRICH; 10-Undecenoic acid; LMFA01030036; 27817_RIEDEL; Undec-10-enoic acid; 1333-28-4; 9-Undecylenic acid; InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13; Hendecenoic acid, omega-; NCIOpen2_002642; 4-02-00-01612 (Beilstein Handbook Reference); Undecylenic acid; Cruex (TN) |
C11H20O2 |
184.28 |
C=CCCCCCCCCC(=O)O |
|
TCMBANKIN012855 |
Salireposide_qt |
|
C20H22O9 |
406.38 |
|
|
TCMBANKIN012879 |
(3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone |
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(phenylmethyl)piperazine-2,5-dione |
|
310.38 |
|
|
TCMBANKIN012894 |
TRIPTONOLIDE |
triptonolide; 6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione; AC1NT199 |
C20H22O4 |
326.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2=O)COC4=O)C)O |
|
TCMBANKIN012899 |
(2R)-1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol |
(2R)-1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol; Prestwick3_000665; STOCK1N-02929; BSPBio_000729; (2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol; ZINC00035526; BPBio1_000803 |
C18H21NO6 |
347.4 g/mol |
CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O |
|
TCMBANKIN012963 |
Fluoren |
NSC 6787; 2,3-Benzindene; o-Biphenylenemethane; 84987-80-4; ST5214526; 2,2'-Methylenebiphenyl; NSC6787; 9H-Fluorene; EINECS 201-695-5; 40078_SUPELCO; 2299-68-5; ghl.PD_Mitscher_leg0.1322; 48644_SUPELCO; Fluorene; HSDB 2165; 86-73-7; Fluorene solution; Fluorenyl radical; InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H; C07715; 48568_SUPELCO; NCGC00164052-01; AI3-09074; 46880_FLUKA; alpha-diphenylenemethane-9H-fluorene; o-Biphenylmethane; c0388; 128333_ALDRICH; Diphenylenemethane; CCRIS 947; CHEBI:28266; Methane, diphenylene- |
C13H10 |
166.22 g/mol |
C1C2=CC=CC=C2C3=CC=CC=C31 |
|
TCMBANKIN012990 |
hydroxyevodiamine |
hydroxy evodiamine; Ambotz526-43-2; 13b-Hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; MolPort-020-005-715; hydroxyevodiamine |
C19H17N3O2 |
319.36 |
|
|
TCMBANKIN012997 |
4-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one |
4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-7-furo[3,2-g]chromenone; 4-[(2S)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one; ZINC00477939 |
C16H16O6 |
304.29 g/mol |
CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)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 |
|
TCMBANKIN013033 |
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone |
ST056246; ZINC00057755; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromenone |
C18H16O6 |
328.32 |
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O |
|
TCMBANKIN013042 |
cichorioside B_qt |
|
|
278.33 |
|
|
TCMBANKIN013069 |
1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
1-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
C22H20O4 |
348.4 g/mol |
COC1=C2C(=C(C(=C1)O)CC3=CC=C(C=C3)O)CCC4=C2C=CC(=C4)O |
|
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 |
|
TCMBANKIN013213 |
cynanogenin,b |
|
|
344.44 |
|
|
TCMBANKIN013215 |
1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione |
1-methyl-8,9-dihydro-7H-naphtho[5,6-g][1]benzoxole-6,10,11-trione |
C17H12O4 |
280.27 |
|
|
TCMBANKIN013252 |
Corchoroside A_qt |
|
|
404.55 |
|
|
TCMBANKIN013267 |
Methoxyacetic acid,3-tridecyl ester |
|
C16H32O3 |
272.42 g/mol |
CCCCCCCCCCC(CC)OC(=O)COC |
|
TCMBANKIN013287 |
eupatorin_qt |
|
|
318.5 |
|
|
TCMBANKIN013297 |
przewalskin b |
|
C20H26O4 |
330.4 g/mol |
CC(C)C1=CC23CCC4C(=CCCC4(C)C)C2OC(=O)C3(C1=O)O |
|
TCMBANKIN013320 |
Paniculide C |
paniculide c |
C15H18O5 |
278.3 |
CC(=CCCC1=C2C(CC3(C(C2=O)O3)CO)OC1=O)C |
|
TCMBANKIN013324 |
pranferin |
|
|
318.4 |
|
|
TCMBANKIN013325 |
1,8-dihydroxy-2,3,4,5-tetramethoxyxanthone |
|
|
348.33 |
|
|
TCMBANKIN013327 |
demethylcorydalmatine |
|
|
327.41 |
|
|
TCMBANKIN013328 |
(-)-alpha-N-methylcanadine |
|
|
354.46 |
|
|
TCMBANKIN013398 |
stemoninine A |
|
|
387.52 |
|
|
TCMBANKIN013424 |
Citromitin |
citromitin |
C21H24O8 |
404.4 g/mol |
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
|
TCMBANKIN013437 |
Demethylfuropinnarin |
MLS002472907; AC1NSUCW; CHEMBL1734870; HMS2267F11; SMR001397018; demethylfuropinnarin; 9-(1,1-dimethylprop-2-enyl)-4-hydroxy-furo[3,2-g]chromen-7-one; 9-(1,1-dimethylprop-2-enyl)-4-hydroxy-7-furo[3,2-g]chromenone; 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one; demthyl furopinnarin |
C16H14O4 |
270.28 g/mol |
CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2 |
|
TCMBANKIN013454 |
Licoagrocarpin |
|
C21H22O4 |
338.4 g/mol |
CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=CC(=C4)OC)O)C |
|
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 |
|
TCMBANKIN013534 |
3-METHYL-2-THIABUTANE |
Sulfide, isopropyl methyl; 2-(methylthio)propane; 1551-21-9; Propane, 2-(methylthio)-; 2-methylsulfanylpropane; Methyl isopropyl sulfide |
C4H10S |
90.19 |
CC(C)SC |
|
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 |
|
TCMBANKIN013602 |
1,6,10-dodecatrien-4-ol,3,7,11-trimethyl- |
|
|
222.41 |
|
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN013666 |
mono-Methyl suberate |
242446_ALDRICH; 8-keto-8-methoxy-caprylic acid; 8-methoxy-8-oxo-octanoic acid; Suberic acid monomethyl ester; 8-Methoxy-8-oxooctanoic acid |
C9H16O4 |
188.22 |
COC(=O)CCCCCCC(=O)O |
|
TCMBANKIN013707 |
(R)-2-(3,4-dihydroxyphenyl)-6,7-dihydroxybenzofuran-3(2H)-one |
|
|
274.24 |
|
|
TCMBANKIN013711 |
Methyl dehydro-15-hydroxy-abietan-18-oate |
methyl dehydro-15-hydroxy-abietan-18-oate |
|
330.51 |
CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
|
TCMBANKIN013738 |
khellol glucoside |
|
C19H20O10 |
408.4 g/mol |
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN013745 |
7,2',4'-trihydroxy－5-methoxy-3－arylcoumarin |
|
|
300.28 |
|
|
TCMBANKIN013812 |
(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol |
(1S,8'R)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; (1S,8'R)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol |
C21H23NO5 |
369.41 |
|
|
TCMBANKIN013814 |
chrysanthediol C |
|
|
320.47 |
|
|
TCMBANKIN013837 |
7-oxobaicaline |
|
C20H15NO6 |
365.34 |
|
|
TCMBANKIN013847 |
quercetin 7-O-β-D-glucoside |
|
|
462.44 |
|
|
TCMBANKIN013916 |
Deoxyvasicinone |
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-; 1,2,3,10-tetrahydro-pyrrolo[2,1-b]quinazolin-9-one; AC1Q1HJF; BG00602365; BBL028460; InChI=1/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H; AC1Q6FYI; ST50135008; 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one; SCHEMBL864139; 4-hydropyrrolidino[2,1-b]quinazolin-5-one; AKOS002210198; VARHXCYGZKSOOO-UHFFFAOYSA-N; DTXSID90201049; deoxyvasicinone; W1018; STOCK1N-00997; cid_68261; Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-; MolPort-000-489-741; CHEBI:4435; 3H-Quinazolin-4-one, 2,3-trimethyleno; FCH831074; SR-01000434191; 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; BDBM50244216; SMR000024071; HMS2507B03; MLS000088451; MFCD00247051; STL373117; ZINC226366; NSC 159478; AC1L29DJ; BB_NC-02943; SR-01000434191-1; CHEMBL456881; NSC159478; ZINC00226366; 4CN-1561; MCULE-8877508828; NSC-159478; 530-53-0; BB_NC-1382; C10659; 2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-; Desoxyvasicinon; 2,3-Trimethylene-4-quinazolone; 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one |
C11H10N2O |
186.21 |
C1CC2=NC3=CC=CC=C3C(=O)N2C1 |
|
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 |
|
TCMBANKIN013951 |
angeloylajadin |
|
|
330.41 |
|
|
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 |
|
TCMBANKIN014148 |
4',5-Dihydroxyflavone |
5-hydroxy-2-(4-hydroxyphenyl)chromone; 5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one; 6665-67-4; NCGC00142565-01; 4H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-; ZINC00057652; Oprea1_419278; ST057730; 5-hydroxy-2-(4-hydroxyphenyl)-4-chromenone |
C15H10O4 |
254.24 |
C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN014177 |
threo-austrobailignan-5 |
|
|
326.42 |
|
|
TCMBANKIN014178 |
Dehydrostephanine |
76907-76-1; dehydrostephanine ; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-9-methoxy-7-methyl-; 1,2-Methylenedioxy-8-methoxydehydroaporphine |
C19H17NO3 |
307.34 |
CN1CCC2=CC3=C(C4=C5C=CC=C(C5=CC1=C24)OC)OCO3 |
|
TCMBANKIN014228 |
Hypolaetin |
8-Hydroxyluteolin; CHEBI:5837; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one; 27696-41-9; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromone; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4-chromenone; hypolaetin; C10078; 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one |
C15H10O7 |
302.24 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[O-])O)O |
|
TCMBANKIN014270 |
Cheilanthifoline |
cheilanthifoline; CHEMBL1209678; cheilanthifolin(e); Chelianthifoline |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN014313 |
13-Tetradecenyl acetate |
tetradec-13-enyl ethanoate; acetic acid tetradec-13-enyl ester; tetradec-13-enyl acetate; 13-Tetradecen-1-ol acetate |
C16H30O2 |
254.41 |
CC(=O)OCCCCCCCCCCCCC=C |
|
TCMBANKIN014343 |
cubebinin |
|
C24H32O8 |
448.51 |
COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O |
|
TCMBANKIN014350 |
Tar |
95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN014382 |
1-methoxyacetylshikonin |
|
C19H20O6 |
344.36 |
|
|
TCMBANKIN014398 |
dauriporphinoline |
|
C19H15NO5 |
337.33 |
COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)O)C2=O |
|
TCMBANKIN014414 |
tanshinone Ⅵ |
|
296.34 |
45.637306 |
|
|
TCMBANKIN014416 |
Consume close grain |
|
|
302.3 |
|
|
TCMBANKIN014437 |
glaucoside H_qt |
|
C47H72O20 |
957.06 |
|
|
TCMBANKIN014477 |
Phenylpropynoic acid |
637-44-5; Propiolic acid, phenyl-; NSC 13669; NSC13669; 2-Propynoic acid, 3-phenyl-; AD-266/40164861; ST5208978; Propiolic acid, phenyl- (8CI); Phenylacetylene monocarboxylic acid; 3-Phenylpropiolic acid; Propiolic acid, 3-phenyl-; EINECS 211-285-8; 3-phenylprop-2-ynoic acid; 78982_FLUKA; AI3-17875; Phenylpropiolic acid; 3-Phenylpropynoic acid; P31205_ALDRICH; Phenylacetylenecarboxylic acid |
C9H6O2 |
146.14 |
C1=CC=C(C=C1)C#CC(=O)O |
|
TCMBANKIN014519 |
1-(1,6,8-trihydroxy-3-methyl-2-naphthyl)ethanone |
1-(1,6,8-trihydroxy-3-methyl-naphthalen-2-yl)ethanone; 1-(1,6,8-trihydroxy-3-methylnaphthalen-2-yl)ethanone |
|
232.25 |
|
|
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 |
|
TCMBANKIN014532 |
1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-(1e,6e)-1,6-heptadiene-3,5-dione |
|
|
398.44 |
|
|
TCMBANKIN014599 |
m-methoxycinnamic acid |
AC1NR68K; ZB002768; ST4015246; A840486; AKOS001710552; (2E)-3-(4-methoxyphenyl)prop-2-enoate; CJ-00607; STK870153; A0751/0035071; (E)-3-(4-methoxyphenyl)-2-propenoate; m-methoxycinnamicacid; trans-4-4ethoxycinnamic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate |
C10H9O3- |
177.18 g/mol |
COC1=CC=C(C=C1)C=CC(=O)[O-] |
|
TCMBANKIN014601 |
2,3-dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(E)-propenyl-benzofuran |
|
|
354.43 |
|
|
TCMBANKIN014627 |
Glycyrin |
CTK2F4785; UNII-994BQ9M3AV; AC1Q69MO; DTXSID50216255; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2-chromenone; 994BQ9M3AV; 3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CI; SCHEMBL5327472; CHEMBL132535; AIDS-095928; 3-(2,4-Dihydroxy-phenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one; 3-(2',4'-dihydroxyphenyl)-5,7-dimethoxy-2-isopentenylcoumarin; 4CN-3204; 3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin; CHEBI:69086; glycyrin; LMPK12160017; AC1LA3F7; MCULE-5289975867; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin; AIDS095928; 66056-18-6; ZINC5854529; AKOS032949083; NP-016587; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one; 3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-2h-chromen-2-one |
C22H22O6 |
382.41 |
CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C |
|
TCMBANKIN014655 |
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1,3-diol |
|
|
320.37 |
|
|
TCMBANKIN014671 |
miltionone Ⅰ |
|
312.39 |
49.684394 |
|
|
TCMBANKIN014732 |
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol |
C20H24O5 |
344.4 |
|
|
TCMBANKIN014752 |
methyl (2S)-3-hydroxy-2-phenylpropanoate |
(2S)-3-hydroxy-2-phenylpropanoic acid methyl ester; methyl (2S)-3-hydroxy-2-phenyl-propanoate; (2S)-3-hydroxy-2-phenyl-propionic acid methyl ester |
C10H12O3 |
180.2 |
|
|
TCMBANKIN014758 |
Gossypetin hexamethyl ether |
DTXSID60228122; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one; 7741-47-1; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-4-chromenone; gossypetinhexamethyl ether; SCHEMBL988273; 3,5,7,8,3',4'-Hexamethoxyflavone; 3,3',4',5,7,8-Hexamethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromone; LMPK12113255; AC1L3SJ8; 2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one; gossypetin hexamethyl ether; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy- |
C21H22O8 |
402.39 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC |
|
TCMBANKIN014779 |
noricariside_qt |
|
C26H30O12 |
534.51 |
|
|
TCMBANKIN014780 |
9-Hydroxyglabratolide |
NSC-277283; NSC277283; 9-hydroxyglabratolide; GLABRATOLIDE, 9-HYDROXY- B800379K299 |
C19H24O6 |
348.4 g/mol |
CC1=CC2C(C(C(C(=CCC1)C=O)O)OC(=O)C(C)C)C(=C)C(=O)O2 |
|
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 |
|
TCMBANKIN014943 |
mukurozioside Ia_qt |
mukurozioside Iia_qt; Mukurozioside Ⅱa_qt; Mukurozioside II_qt |
C51H88O28 |
1149.23 |
|
|
TCMBANKIN015021 |
1,5,6-trimethoxyphenanthrene-2,7-diol |
|
C17H16O5 |
300.31 |
|
|
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 |
|
TCMBANKIN015068 |
glaucoside,c_qt |
|
|
376.49 |
|
|
TCMBANKIN015083 |
diosbulbin E |
|
C19H22O6 |
346.37 |
CC12CC(OC(=O)C1CC(C3C2CC4CC3C(=O)O4)O)C5=COC=C5 |
|
TCMBANKIN015084 |
stemonamide |
|
|
329.43 |
|
|
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 |
|
TCMBANKIN015172 |
Matsukaze lactone |
MLS002472930; 7-methoxy-8-(7-methoxy-2-oxo-6-chromenyl)-2-chromenone; CHEMBL1877565; matsukazelactone; 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one; 7-methoxy-8-(7-methoxy-2-oxo-chromen-6-yl)chromen-2-one; matsukaze lactone; SMR001397040; 8-(2-keto-7-methoxy-chromen-6-yl)-7-methoxy-coumarin; AC1NSXWA; HMS2268O14 |
C20H14O6 |
350.3 g/mol |
COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC |
|
TCMBANKIN015186 |
epimedoside D |
epimedoside d |
C37H46O19 |
794.7 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O |
|
TCMBANKIN015205 |
Dihydrochelirubine |
C05194; 28342-26-9; 13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; CHEBI:17789; 5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine |
C21H17NO5 |
363.36 |
CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
|
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 |
|
TCMBANKIN015237 |
atratoside,a_qt |
|
|
344.49 |
|
|
TCMBANKIN015306 |
Dehydroglaucine |
AC1Q4FGT; TimTec1_003612; MCULE-9517315258; NSC708924; 4H-Dibenzo(de,g)quinoline, 5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; 5,6-Dihydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; ZINC01092562; DTXSID30176762; ST048855; 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4h-dibenzo[de,g]quinoline; CTK4E8912; NCGC00142406-01; 4H-Dibenzo[de,g]quinoline,5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; HMS1544E04; AC1L9HB7; NCGC00017261-01; MolPort-004-954-691; TNP00164; SCHEMBL14029309; Didehydroglaucine; NSC-708924; ZINC1092562; 22212-26-6; AKOS024281802; dehydroglaucine; NCGC00017261-02; 4,5,15,16-TETRAMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE; CHEMBL1412163; NCI60_038488 |
C21H23NO4 |
353.41 |
CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC |
|
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 |
|
TCMBANKIN015370 |
malvidin |
malvidin ; Malvidin-3,5-diglucoside_qt |
C17H15O7+ |
331.3 g/mol |
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
|
TCMBANKIN015379 |
1-Acetyl-beta-carboline |
1-(9H-beta-carbolin-1-yl)ethanone; 1-acetyl-β-carboline; InChI=1/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H; 1-(9H-$b-carbolin-1-yl)ethanone; 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone; ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)-; 1-acetyl-beta-carboline |
C13H10N2O |
210.23 |
CC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN015474 |
Dichotomitin |
9-hydroxy-7-(3-hydroxy-4,5-dimethoxy-phenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 9-HYDROXY-7-(3-HYDROXY-4,5-DIMETHOXYPHENYL)-2H-[1,3]DIOXOLO[4,5-G]CHROMEN-8-ONE; AC1NSUH9; AK554330; MFCD28166494; 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 3',4'-dimethoxy-5',5-dihydroxy-6,7-methylenedioxyisoflavone; 88509-91-5; DTXSID10237087; AKOS030530363; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; LMPK12050420; 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-; dichotomitin; 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-; FT-0718285; 9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one; 3',4'-Dimethoxy-5,5'-dihydroxy-6,7-(epoxymethanoxy)isoflavone |
C18H14O8 |
358.3 |
COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4 |
|
TCMBANKIN015526 |
musk ambrette |
|
C12H16N2O5 |
268.27 |
CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] |
|
TCMBANKIN015528 |
levodopa |
Dopaston SE; Helfo-dopa; Eurodopa; Dopastral; Veldopa; Biodopa; Dopal; BSPBio_000053; Levedopa; SPBio_000391; L-O-Hydroxytyrosine; .Beta.-(3,4-Dihydroxyphenyl)-L-alanine; SPECTRUM2300205; Spectrum2_000496; beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine; KBio2_000934; 3,4-Dihydroxyphenylalanine (VAN); Cidandopa; (-)-Dopa; Pardopa; Levodopa (JP15/USP/INN); (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid; D9628; Dihydroxy-L-phenylalanine; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-; Levodopum [INN-Latin]; DivK1c_000452; (-)-(3,4-Dihydroxyphenyl)alanine; L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine; Prestwick3_000017; Brocadopa; L(-)-Dopa; EINECS 200-445-2; SDCCGMLS-0066924.P001; 3,4-Dihydroxyphenylalanine; Levopa; Dopar (TN); Dopal-fher; PDSP1_001541; Spectrum5_001899; L-(o-Dihydroxyphenyl)alanine; BPBio1_000059; Dopaflex; NSC118381; CHEBI:15765; nchembio.2007.55-comp26; 72572-99-7; Syndopa; Eldopatec; Lopac-D-9628; Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-; Ro 4-6316; KBio2_006070; DAH; .Beta.-(3, 4-Dihydroxyphenyl)alanine; Dopalina; Doparl; KBioGR_001177; 3-Hydroxytyrosine; Lopac0_000454; InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14; KBioSS_000934; Cerepar; Dopaston; L-Dihydroxyphenylalanine; L-3-Hydroxytyrosine; L-O-Dihydroxyphenylalanine; AIDS126624; beta-(3,4-dihydroxyphenyl)alanine; Prestwick1_000017; Helfo DOPA; AIDS-126624; Dopasol; L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; Alanine, 3-(3,4-dihydroxyphenyl)-; Tyrosine, 3-hydroxy-; NINDS_000452; NCGC00016270-01; Eldopar; Insulamina; NCGC00015384-01; D9628_SIGMA; Prodopa; PDSP2_001525; Dopaidan; Dopar; C00355; L-(-)-Dopa; KBio1_000452; Bendopa; Spectrum4_000539; D00059; 3,4-Dihydroxyphenyl-L-alanine; L-3-(3,4-Dihydroxyphenyl)alanine; CAS-59-92-7; CCRIS 3766; L-beta-(3,4-Dihydroxyphenyl)alanine; 23734-74-9; Levodopa; L-(3, 4-Dihydroxyphenyl)alanine; Sobiodopa; EU-0100454; Larodopa; Levodopa [USAN:BAN:INN:JAN]; L-.Beta.-(3,4-Dihydroxyphenyl)alanine; L Dopa; IDI1_000452; 88250-23-1; Doprin; Spectrum_000454; Component of Sinemet; 37830_FLUKA; Cerepap; Prestwick0_000017; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; ST5330614; 25525-15-9; Prestwick_185; L-Tyrosine, 3-hydroxy-; 34241-25-3; 3, 4-Dihydroxy-L-phenylalanine; 72573-00-3; 90638-38-3; Doparkine; Prestwick2_000017; Eldopal; beta-(3,4-Dihydroxyphenyl)-L-alanine; MLS000028514; 3-Hydroxy-L-tyrosine; (-)-3-(3,4-Dihydroxyphenyl)-L-alanine; BSPBio_002354; SMR000058312; 3-(3,4-Dihydroxyphenyl)-L-alanine; SPBio_001974; HSDB 3348; NSC 118381; 587-45-1; Maipedopa; 3, 4-Dihydroxyphenylalanine; KBio2_003502; Deadopa |
C9H11NO4 |
197.19 |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O |
|
TCMBANKIN015559 |
24-Dehydrocholesterol |
313-04-2; CHEBI:17737; D6513_SIGMA; Cholesta-5,24-dien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 5,24-Cholestadien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; C01802; 3beta-Hydroxy-5,24-cholestadiene; cholest-5,24-dien-3beta-ol; 3beta-cholesta-5,24-dien-3-ol; LMST01010016 |
C27H44O |
384.64 |
CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
|
TCMBANKIN015613 |
rhoeadine |
|
C21H21NO6 |
383.39 |
CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
|
TCMBANKIN015632 |
forsythidmethylester_qt |
|
|
242.25 |
|
|
TCMBANKIN015684 |
dehydrocavidine |
|
|
351.43 |
|
|
TCMBANKIN015690 |
(1'R,3S,4a'S,5a'S,10a'R)-1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylic acid |
|
|
354.44 |
|
|
TCMBANKIN015746 |
CNH |
00591_FLUKA; Acetoncyanhydrin; AI3-04257; Acetone cyanohydrin; 59182-86-4; HSDB 971; acetone-cyanohydrin; 2-Hydroxyisobutyronitrile; RCRA waste number P069; 2-hydroxy-2-methyl-propanenitrile; Acetonecyanhydrine; C02659; Acetoncianidrina [Italian]; Acetonkyanhydrin; 4-03-00-00785 (Beilstein Handbook Reference); 2-Hydroxy-2-methylpropionitrile; A10000_ALDRICH; Acetone cyanhydrin; Acetoncianhidrinei [Romanian]; 75-86-5; 2-Cyano-2-hydroxypropane; NSC 131093; NSC7080; Acetoncianhidrinei; .alpha.-Hydroxyisobutyronitrile; 2-Cyano-2-propanol; Acetoncianidrina; Cyanhydrine d'acetone; SBB004397; 2-Propanone, cyanohydrin; Acetoncyaanhydrine; NSC131093; UN1541; BRN 0605391; Lactonitrile, 2-methyl-; CHEBI:15348; Acetone cyanohydrin, stabilized; Acetonkyanhydrin [Czech]; Acetone cyanohydrin, stabilized [UN1541] [Poison]; WLN: QX1&1&CN; alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; EINECS 200-909-4; Cyanhydrine d'acetone [French]; Acetoncyaanhydrine [Dutch]; Acetoncyanhydrin [German]; RCRA waste no. P069; Usaf rh-8; InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H; 2-Methyllactonitrile; Acetonecyanhydrine [French]; Propanenitrile, 2-hydroxy-2-methyl-; 2-hydroxy-2-methyl-propionitrile; CCRIS 4657; NSC977 |
C4H7NO |
85.1 |
CC(C)(C#N)O |
|
TCMBANKIN015747 |
8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol |
8-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol; 8-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-chromen-5-ol; 8-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-chromen-5-ol |
|
308.35 |
|
|
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 |
|
|
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 |
|
TCMBANKIN015918 |
Isouvaretin |
1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl; 1-[4,6-dihydroxy-3-(2-hydroxybenzyl)-2-methoxy-phenyl]-3-phenyl-propan-1-one; 61463-03-4; 1-Propanone, 1-(4,6-dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-; 1-(4,6-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone; 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxy-phenyl]-3-phenyl-propan-1-one; C09759; NSC295674; NSC-295674; DTXSID60210406; LMPK12120467; 1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl]-3-phenylpropan-1-one; CHEBI:6068; AC1L46SX; Chamuvarin; isouvaretin; CHAMUVARITIN II |
C23H22O5 |
378.42 |
COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O |
|
TCMBANKIN015944 |
PDSP1_000624 |
|
C19H19NO4 |
325.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
|
TCMBANKIN015945 |
(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol |
MEGxp0_001133; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; ACon1_001168; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol |
C19H22O6 |
346.37 |
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O |
|
TCMBANKIN015958 |
(R,7E,11Z,13Z)-10-hydroxyhexadeca-7,11,13-trienoic acid |
|
|
266.42 |
|
|
TCMBANKIN015974 |
Asimilobine |
6871-21-2; 125678-63-9; (+)-Asimilobine; 4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-, (R)-; CHEMBL389271; asimilobine |
C17H17NO2 |
267.32 |
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O |
|
TCMBANKIN016000 |
p-Acetoxycinnamic acid |
(E)-3-(4-acetoxyphenyl)acrylic acid; Cinnamic acid, p-hydroxy-, acetate; 15486-19-8; 3-(4-acetoxyphenyl)acrylic acid; (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid; 3-(4-acetyloxyphenyl)prop-2-enoic acid; AI3-31929; NSC40967; AQ-917/42754023; 3-(4-acetoxyphenyl)prop-2-enoic acid; (E)-3-(4-acetoxyphenyl)prop-2-enoic acid; 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-; 2-Propenoic acid, 3-(4-(acetyloxy)phenyl)-; NSC 40967; EINECS 239-512-6; 4-Acetoxycinnamic acid |
C11H10O4 |
206.19 |
CC(=O)OC1=CC=C(C=C1)C=CC(=O)O |
|
TCMBANKIN016003 |
Dehydronantenine |
55898-15-2; CCRIS 3822 |
C20H19NO4 |
337.37 |
CN1CCC2=CC(=C(C3=C4C=C5C(=CC4=CC1=C23)OCO5)OC)OC |
|
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 |
|
TCMBANKIN016040 |
Palaudine |
5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxy-phenol; 5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol; Phenol, 5-((6,7-dimethoxy-1-isoquinolinyl)methyl)-2-methoxy-; 5-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxy-phenol; 18694-10-5; 3'-Hydroxypapaverine; 5-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxyphenol; palaudine |
C19H19NO4 |
325.36 |
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O |
|
TCMBANKIN016043 |
1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one |
NSC270890; 52601-05-5; 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-, (E)-; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one; 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-prop-2-en-1-one; 51619-57-9; (E)-1-(2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-prop-2-en-1-one |
C20H20O3 |
308.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=CC=C2)O)C |
|
TCMBANKIN016075 |
ST057701 |
NCGC00142558-01 |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC |
|
TCMBANKIN016142 |
1,3-dimethoxy-5-(2-phenylethyl)benzene |
|
|
242.34 |
|
|
TCMBANKIN016154 |
3beta-Hydroxytanshinone IIA |
(7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; CHEMBL377478; AC1NSWQG; 3β-hydroxytanshinone iia; 3beta-hydroxytanshinone iia; 3-hydroxytanshinone; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
C19H18O4 |
310.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
|
TCMBANKIN016167 |
davallioside B_qt |
|
C25H29NO12 |
535.5 |
|
|
TCMBANKIN016179 |
aristolactam Ⅰa-N-β-D-glucopyanoside_qt |
|
|
295.26 |
|
|
TCMBANKIN016181 |
Chrysosplenetin |
5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; chrysosplenetin; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromone; Quercetagetin 3,6,7,3'-tetramethyl ether; 4H-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; Chrysosplenetin B; 603-56-5; 69234-29-3; C10030 |
C19H18O8 |
374.34 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
|
TCMBANKIN016236 |
Sterigmato-cystin |
|
C18H12O6 |
324.28 |
COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O |
|
TCMBANKIN016237 |
Lactucopicrin |
lactucopicrin |
C23H22O7 |
410.42 |
CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN016252 |
9-hydroxy-4-[(7-methoxy-2-oxochromen-8-yl)methyl]furo[3,2-g]chromen-7-one |
9-hydroxy-4-[(2-keto-7-methoxy-chromen-8-yl)methyl]furo[3,2-g]chromen-7-one; 9-hydroxy-4-[(7-methoxy-2-oxo-8-chromenyl)methyl]-7-furo[3,2-g]chromenone; 9-hydroxy-4-[(7-methoxy-2-oxo-chromen-8-yl)methyl]furo[3,2-g]chromen-7-one |
C22H14O7 |
390.34 |
|
|
TCMBANKIN016287 |
Guggulsterol IV |
|
C27H44O3 |
416.64 |
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(=O)C4)C)O)C |
|
TCMBANKIN016290 |
Methoxyacetic acid,2-tridecyl ester |
|
C16H32O3 |
272.42 g/mol |
CCCCCCCCCCCC(C)OC(=O)COC |
|
TCMBANKIN016300 |
Sigmoidin-B |
(2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromanone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-di- hydroxy-, (S)-; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-2,3-dihydro-5,7-dihydroxy-, (S)-; Sigmoidin B; 87746-47-2; AIDS-071729; (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one; (2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychroman-4-one; AIDS071729 |
C20H20O6 |
356.37 |
CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C |
|
TCMBANKIN016334 |
(-)-noradrenaline |
to_000024; 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-; KBio3_001579; CHEBI:18357; NCGC00159406-02; 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol; Levoarterenol; KBio2_006625; KBio1_000230; L-Noradrenaline; NCGC00159406-05; Nor adrenalin (TN); Nor adrenalin; Noradrenaline (JP15); NINDS_000230; 4-[(1R)-2-amino-1-hydroxy-ethyl]pyrocatechol; Spectrum_001009; norepinephrinum; SPECTRUM1500436; KBio2_004057; Spectrum3_000520; KBio2_001489; DivK1c_000230; nchembio705-1; PDSP1_001111; 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol; 51-41-2; 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-; KBioSS_001489; C00547; NCGC00159406-04; BSPBio_002079; AIDS335520; A7257_SIGMA; KBioGR_000635; D00076; (−)-Norepinephrine; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(-)-; Spectrum5_001068; Arterenol; Spectrum4_000078; PDSP2_001095; Spectrum2_001064; (-)-(R)-Norepinephrine; SGCUT00123; AIDS-335520; Norepinephrine (INN); SPBio_001048; IDI1_000230 |
C8H11NO3 |
169.18 |
C1=CC(=C(C=C1C(CN)O)O)O |
|
TCMBANKIN016396 |
SMR000445689 |
MLS000728482 |
C22H26O6 |
386.44 |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)O)OCO3 |
|
TCMBANKIN016405 |
3,3',4-tri-O-methylellagic acid |
3,3', 4-tri-o-methylellagic acid; 3,3',4-tri-o-methylellagic acid; 3,3',4-tri-o-methyl ellagicacid; 3,3',4-tri-o-methyl ellagic acid |
|
346.31 |
|
|
TCMBANKIN016459 |
didymin |
didymin_qt; poncirin_qt; isosakuranetin-7-rutinoside_qt |
C28H34O14 |
594.56 |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
|
TCMBANKIN016480 |
Melafolone |
melafolone; AC1NSXWY; [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 2-methylbutanoate; LMPK12120357 |
C22H24O7 |
400.42 |
CCC(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC |
|
TCMBANKIN016484 |
isorhamnetin3-O-D-glucopyranoside_qt |
|
|
318.3 |
|
|
TCMBANKIN016492 |
anomalin |
|
C24H26O7 |
426.46 |
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C |
|
TCMBANKIN016519 |
Eupatoriopicrin |
LS-71189; Germacra-1(10),4,11(13)-trien-12-oic acid, 6-beta,8-alpha-dihydroxy-, 12,6-lactone,4-hydroxy-2-(hydroxymethyl)crotonate; C20H26O6; eupatoriopicrin |
C20H26O6 |
362.4 g/mol |
CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2 |
|
TCMBANKIN016536 |
trans-(tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-5-oxofuran-3-yl)methylbenzoate |
trans-(tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-5-oxofuran-3-yl)methyl benzoate |
|
342.37 |
|
|
TCMBANKIN016573 |
neobyakangelico l |
CHEMBL1699927; 9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]-4-METHOXYFURO[3,2-G]CHROMEN-7-ONE; UBAMGTKSOKGECF-UHFFFAOYSA-N; 35214-82-5; neobyakangelicol; BG01028344; 9-(2-hydroxy-3-methylbut-3-enoxy)-4-methoxyfuro[3,2-g]chromen-7-one; AKOS032948617; 9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro[3,2-g]chromen-7-one; HMS2268M18; CHEBI:80942; 55806-41-2; W1295; Neobyakangelicin; Neobyakangelicol; 9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro(3,2-g)chromen-7-one; AC1LDCJO; C17126; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2- hydroxy-3-methyl-3-butenyl)oxy]-4- methoxy-,(-)-; MLS002472933; SMR001397042; 9-[(2-Hydroxy-3-methyl-3-butenyl)oxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one # |
C17H16O6 |
316.31 |
CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O |
|
TCMBANKIN016579 |
pseudocoptisine |
|
C19H14NO4+ |
320.3 g/mol |
C1C[N+]2=CC3=CC4=C(C=C3C=C2C5=CC6=C(C=C51)OCO6)OCO4 |
|
TCMBANKIN016616 |
4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol |
4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S)-4-[(S)-hydroxy-(3-hydroxy-5-methoxy-phenyl)methyl]-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol |
|
376.44 |
|
|
TCMBANKIN016628 |
Glyasperins M |
|
|
368.41 |
|
|
TCMBANKIN016664 |
d-Pinoresinol |
|
|
358.42 |
|
|
TCMBANKIN016694 |
gentianine |
AKOS005266580; Gentianine; ZINC1530467; MCULE-3837896278; 439-89-4; NSC606848; 4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone; BB_NC-0759; 5-vinyl-3-hydro-4H-pyrano[3,4-c]pyridin-1-one; 1H-Pyrano(3,4-c)pyridin-1-one, 5-ethenyl-3,4-dihydro- (9CI); 4-27-00-02817 (Beilstein Handbook Reference); Gencianina; Bio-0278; Q-100479; C2PD310UXB; 1H-Pyrano[3,4-c]pyridin-1-one, 5-ethenyl-3,4-dihydro-; 5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; Erythricine; FCH842303; ZINC01530467; From Schultesia guianensis malme (Mata-Zombando); C06525; 5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; UNII-C2PD310UXB; 5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; 5-vinyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; ST023290; CHEBI:28981; NSC-606848; W1062; 1H-Pyrano[3,4-c]pyridin-1-one,5-ethenyl-3,4-dihydro-; 4-(2-Hydroxyethyl)-5-vinylnicotinic lactone; MolPort-002-507-225; SCHEMBL2216852; AC1L74P3 |
C10H9NO2 |
175.18 g/mol |
C=CC1=CN=CC2=C1CCOC2=O |
|
TCMBANKIN016705 |
WLN: L66J BQ DQ |
EINECS 205-079-7; 70650_FLUKA; 1,3-DIHYDROXYNAPHTHALENE; AIDS-154849; Naphthoresorcinol; CCRIS 7896; 1,3-Naphthalenediol (8CI,9CI); BRN 2044002; AIDS154849; Naphthoresoucinol; AI3-08780; NSC115890; ZINC00155677; 1,3-Naphthalenediol; N6250_SIGMA; 132-86-5; 4-06-00-06543 (Beilstein Handbook Reference); NSC 115890; 3-Hydroxybenzocyclohexadien-1-one; ST5406572; Naphthalene-1,3-diol |
C10H8O2 |
160.17 |
C1=CC=C2C(=C1)C=C(C=C2O)O |
|
TCMBANKIN016709 |
dysoanthraquinone |
Dysoanthraquinone |
C18H14O7 |
342.3 |
|
|
TCMBANKIN016731 |
arachidonate |
CBiol_001948; KBio2_000511; KBio2_005395; Bio1_000234; SpecPlus_000727; 5,8,11,14-icosatetraenoate; Eicosanetetraenoic acid; (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid; AI3-09613; Spectrum4_000905; KBio2_003079; KBio3_000518; KBioSS_000511; KBio2_002827; CCRIS 6312; KBioSS_000259; (all-Z)-5,8,11,14-Eicosatetraenoic acid; 7771-44-0; Spectrum_000091; KBioGR_001370; Bio2_000739; CHEBI:36306; LMFA01030393; Bio1_001212; KBio2_000259; KBio1_001767; KBioGR_000259; Bio2_000259; 5,8,11,14-Eicosatetraenoic acid / 5,8,11,14-icosatetraenoic acid; KBio2_005647; 506-32-1; DivK1c_006823; Bio1_000723; KBio3_000517; arachidonic acid; EINECS 208-033-4; (5Z,8Z,11Z,14Z)-5,8,11,14-Eikosatetraensaeure; 5,8,11,14-Eicosatetraenoic acid, (all-Z)-; ARACHIDONIC_ACID; Icosa-5,8,11,14-tetraenoic acid |
C20H32O2 |
304.47 |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-] |
|
TCMBANKIN016732 |
Albafuran A |
Albafuran; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol; 1,3-Benzenediol, 4-((2E)-3,7-dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-; AC1NQYBF; C08732; D0E1ZS; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol; albafuran a; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 84323-14-8; CHEMBL564896; CHEBI:2543; 2-[3,5-Dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxybenzofuran-2-yl)benzene-1,3-diol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxybenzofuran-2-yl)resorcinol; 4-(3,7-dimethylocta-2,6-dien-1-yl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxybenzofuran-2-yl)resorcinol; 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2-benzofuranyl)benzene-1,3-diol; 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; BDBM50303002; 4-(3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI |
C24H26O4 |
378.46 |
CC(=CCCC(=CCC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O)C)C |
|
TCMBANKIN016747 |
florilenalin isobutyrate |
|
|
348.48 |
|
|
TCMBANKIN016767 |
salvilenone Ⅰ |
|
270.4 |
32.434709 |
|
|
TCMBANKIN016793 |
Inermine |
C10502; (-)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis)-; ST077155; 2035-15-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN016798 |
Capaurine |
capaurine; C09371; 13a-alpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol; 6H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)- (9CI); (-)-Capaurine; 478-14-8; 13aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); NSC 404532; l-Capaurine; 2,3,9,10-Tetramethoxy-13a-alpha-berbin-1-ol |
C21H25NO5 |
371.43 |
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
|
TCMBANKIN016949 |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
362.37 |
|
|
TCMBANKIN016967 |
Shinjulactone B |
|
C19H22O7 |
362.37 |
CC1C2CC(=O)OC3C2(C(=C(C1=O)O)C(C3)(C)C4C(=CC(=O)O4)C)CO |
|
TCMBANKIN016993 |
(1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone |
|
356.45 |
|
|
TCMBANKIN017012 |
Dehydrocorydalmine |
DTXSID10218876; dehydrocorydalmine; CHEMBL1270747; 2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol; 3-HYDROXY-4,10,11-TRIMETHOXY-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM; Dibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-; CHEBI:70645; BDBM50328691; CHEMBL1618061; 6877-27-6; Dehydrocorydalmine Trifluoroacetate; AC1MJ1O8 |
C20H20NO4+ |
338.4 g/mol |
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC |
|
TCMBANKIN017076 |
76897_FLUKA |
(2R,4R)-pentane-2,4-diol; ZINC00388354; (R,R)-(−)-2,4-Pentanediol; 243175_ALDRICH |
C5H12O2 |
104.15 |
CC(CC(C)O)O |
|
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 |
|
TCMBANKIN017109 |
(R,E)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid |
|
|
416.46 |
|
|
TCMBANKIN017120 |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidino-pent-2-en-1-one |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidin-1-yl-pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(1-piperidyl)pent-2-en-1-one |
C17H23NO3 |
289.4 g/mol |
COC1=C(C=CC(=C1)CCC=CC(=O)N2CCCCC2)O |
|
TCMBANKIN017161 |
picraquassioside C_qt |
|
C28H38O14 |
598.59 |
|
|
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 |
|
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 |
|
|
TCMBANKIN017300 |
Glycozolidal |
2,7-dimethoxy-9H-carbazole-3-carboxaldehyde; glycozolidal; 2,7-dimethoxy-9H-carbazole-3-carbaldehyde; 9H-Carbazole-3-carboxaldehyde, 2,7-dimethoxy-; AIDS342644; AIDS-342644 |
C15H13NO3 |
255.27 g/mol |
COC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)OC)C=O |
|
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 |
|
TCMBANKIN017590 |
wanepimedoside A |
|
C33H42O15 |
678.7 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CCC(C)(C)O)C5=CC=C(C=C5)OC)C)O)O)O)O)O |
|
TCMBANKIN017759 |
Bianfugenine |
7H-Dibenzo(de,h)quinolin-7-one, 4,5,6,9-tetramethoxy-; 4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one; 88142-60-3; bianfugenine |
C20H17NO5 |
351.35 |
COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)OC)C2=O |
|
TCMBANKIN017774 |
(1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
|
C22H26O6 |
386.44 |
|
|
TCMBANKIN017871 |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]vinyl]acetamide |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]ethanamide; N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]acetamide |
|
384.42 |
|
|
TCMBANKIN017889 |
(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one |
ZINC00338038; (2R)-7-hydroxy-5-methoxy-2-phenyl-4-chromanone; (2R)-7-hydroxy-5-methoxy-2-phenyl-chroman-4-one |
C16H14O4 |
270.28 |
|
|
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 |
|
TCMBANKIN017939 |
α-lindane |
|
C6H6Cl6 or ClCH(CHCl)4CHCl |
|
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl |
|
TCMBANKIN017963 |
Loureirin A |
loureirin a; 119425-89-7; MolPort-020-005-759; LMPK12120602; CHEMBL253779; CS-7883; RSAIVLRELNGZEY-UHFFFAOYSA-N; AC1NSXMO; BG01578740; 8165AH; FT-0715269; AKOS030573608; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-on; SCHEMBL7187176; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one; HY-N1505; AK608334; ZINC13341184 |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC |
|
TCMBANKIN017993 |
vitamin c |
D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 |
C6H8O6 |
176.12 |
C(C(C1C(=C(C(=O)O1)O)O)O)O |
|
TCMBANKIN018044 |
1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxypheny)-1,6-heptadiene-3,5-dione |
|
|
354.38 |
|
|
TCMBANKIN018056 |
diosbulbinoside D_qt |
|
C25H30O11 |
506.5 |
|
|
TCMBANKIN018089 |
m-Bis(m-phenoxyphenoxy)benzene |
1,3-bis[3-(phenoxy)phenoxy]benzene; 1,3-Bis(3-phenoxyphenoxy)benzene; NSC57094; Benzene, m-bis(m-phenoxyphenoxy)-; m,m,m-5 F4 E; 61332-25-0; 2455-71-2; NSC 57094; Benzene, 1,3-bis(3-phenoxyphenoxy)-; EINECS 219-530-0 |
C30H22O4 |
446.49 |
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC=C5 |
|
TCMBANKIN018093 |
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene |
|
|
348.42 |
|
|
TCMBANKIN018203 |
deacetylasperulosidic acid _qt |
deacetyl asperulosidic acid methyl ester_qt |
C16H22O11 |
390.34 |
|
|
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 |
|
|
TCMBANKIN018270 |
caohuoside B |
|
C45H56O23 |
964.9 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)O)O)OC(=O)C |
|
TCMBANKIN018273 |
sessilifoliamide B |
|
C17H27NO3 |
293.4 g/mol |
CCC(C1CCCCN2C1CCC2=O)C3CC(C(=O)O3)C |
|
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 |
|
TCMBANKIN018326 |
haplopine |
AC1Q6BZM; TimTec1_005697; ST083386; Oprea1_418227; ZINC5998737; AC1L4WKL; HMS1550C21; 1363-10-6; 4,8-dimethoxy-furo[2,3-b]quinolin-7-ol, AldrichCPR; MLS001049015; AKOS032948939; HMS3561H11; AIDS-342575; Oprea1_182538; A835051; STK762192; 7-Hydroxy-8-methoxydictamnine; 9509AF; MCULE-1281961921; CTK5A8833; AIDS342575; C10694; 4,8-dimethoxyfuro[2,3-b]quinolin-7-ol; Heliparvifoline; CHEMBL400257; Bio-0229; BAS 00513816; MolPort-001-898-934; 4,8-dimethoxyfuro[2,3-b]quinolin-7(9h)-one; 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one; ZINC00083885; SCHEMBL15263337; 5876-17-5; 4,8-Dimethoxy-furo[2,3-b]quinolin-7-ol; Furo[2,3-b]quinoline, 4,8-dimethoxy-7-hydroxy-; AKOS000635187; CHEMBL455007; 4,8-dimethoxyfurano[2,3-b]quinolin-7-ol; CHEBI:5620; HMS2270N15; SMR000387023; Furo(2,3-b)quinolin-7-ol, 4,8-dimethoxy-; A2194/0092285; Haplopine |
C13H11NO4 |
245.23 |
COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O |
|
TCMBANKIN018347 |
3-methoxy-10-methylenefuranogermacra-1- en-6-one |
(1E)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C16H20O3 |
260.33 g/mol |
CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C |
|
TCMBANKIN018394 |
Loniceracetalide A_qt |
|
|
298.37 |
|
|
TCMBANKIN018414 |
Aseanostatin P1 |
Tridecanoic acid, 12-methyl; CHEBI:43722; LMFA01020007; 12-methyl-tridecanoic acid; 12-methyltridecylic acid; 12-Methyltridecanoic acid; 2724-57-4; M7281_SIGMA; Tridecanoic acid, 12-methyl-; ISOMYRISTIC ACID; (+)-Isomyristic acid |
C14H28O2 |
228.37 |
CC(C)CCCCCCCCCCC(=O)O |
|
TCMBANKIN018434 |
Isoarcapillin |
5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxy-phenyl)-7-methoxy-chromen-4-one; isoarcapillin; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxychromen-4-one; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxy-phenyl)-7-methoxy-chromone; 5,6-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-7-methoxy-4-chromenone |
C18H16O8 |
360.31 |
COC1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O |
|
TCMBANKIN018438 |
acetic acid [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] ester |
acetic acid [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-4-keto-1-methoxy-7-methyl-8-bicyclo[3.2.1]oct-2-enyl] ester; [(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-8-bicyclo[3.2.1]oct-2-enyl] acetate; [(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate; [(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] ethanoate |
C23H28O6 |
400.46 |
|
|
TCMBANKIN018460 |
dihydrotanshinlactone |
|
|
266.31 |
|
|
TCMBANKIN018463 |
1,3- dihydroxy-3-methylanthraquinone |
|
|
254.25 |
|
|
TCMBANKIN018473 |
(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
|
312.34 |
|
|
TCMBANKIN018488 |
NEH |
Etilamina [Italian]; Ethylamine; Aminoethane; CHEBI:15862; Etyloamina [Polish]; UN1036; Ethyl amine; QuadraPure EDA; 85404-22-4; AI3-24228; QuadraPure Bis(ethylamine); 668583_ALDRICH; C00797; UN2270; Aethylamine [German]; 395064_ALDRICH; 301264_ALDRICH; 85404-16-6; 395072_ALDRICH; EINECS 200-834-7; Monoethylamine; 02946_FLUKA; 471208_ALDRICH; HSDB 803; InChI=1/C2H7N/c1-2-3/h2-3H2,1H; Ethylamine [UN1036] [Flammable gas]; 1-Aminoethane; 43031-21-6; 75-04-7; Ethanamine; Ethylamine solution (72% or less); c0920; Ethylamine, aqueous solution with not <50% but not >70% ethylamine [UN2270] [Flammable liquid]; CCRIS 6261; Ethylamine solution |
C2H7N |
45.08 |
C(CS)N |
|
TCMBANKIN018495 |
4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol |
4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol |
C22H26O8 |
418.44 |
|
|
TCMBANKIN018521 |
loroglossin_qt |
|
C34H46O18 |
742.72 |
|
|
TCMBANKIN018531 |
20(s)-protopanaxadiol |
(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; AC1MIVF3; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; 7755/1/3; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
C30H52O3 |
460.73 |
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C |
|
TCMBANKIN018561 |
Wighteone |
AIDS071696; AIDS-071696; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; wighteone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; C10542; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-; 51225-30-0; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromone |
C20H18O5 |
338.35 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN018583 |
Khellol |
7-(hydroxymethyl)-4-methoxy-pyrano[3,2-f]benzofuran-5-one; 7-(hydroxymethyl)-4-methoxypyrano[3,2-f][1]benzoxol-5-one; Chellol; 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-(hydroxymethyl)-4-methoxy-; 478-79-5; khellol; 7-(hydroxymethyl)-4-methoxy-5-pyrano[3,2-f]benzofuranone; 7-(Hydroxymethyl)-4-methoxy-5H-furo(3,2-g)(1)benzopyran-5-one; 4-methoxy-7-methylol-pyrano[3,2-f]benzofuran-5-one; 5H-Furo[3,2-g][1]benzopyran-5-one, 7-(hydroxymethyl)-4-methoxy-; 7-(hydroxymethyl)-4-methoxy-pyrano[3,2-f][1]benzoxol-5-one |
C13H10O5 |
246.22 |
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO |
|
TCMBANKIN018615 |
3-[(3R,9S,9aR)-9-hydroxy-2-keto-quinolizidin-3-yl]quinazolin-4-one |
3-[(3R,9S,9aR)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-3-yl]-4-quinazolinone; 3-[(3R,9S,9aR)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-3-yl]quinazolin-4-one |
|
313.39 |
|
|
TCMBANKIN018651 |
Tetrahydromagnolol |
tetrahydro-magnolol; 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol; DTXSID30415784; CHEMBL32362; magnolignan; D09209; AK558283; MolPort-044-561-199; CTK0J8666; 5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol; SCHEMBL662610; 2,2'-dihydroxy-5,5'-dipropyl-biphenyl; 20601-85-8; [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-; MLO; tetrahydromagnolol; AKOS030533113; 2-(2-hydroxy-5-propylphenyl)-4-propylphenol; BDBM50428092; ZINC29227697; AC1NT0WA |
C18H22O2 |
270.4 g/mol |
CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O |
|
TCMBANKIN018664 |
CHANOCLAVINE |
SAHHMCVYMGARBT-UXBLZVDNSA-N; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, [4R-[4.alpha.,5.beta.(E)]]-; 1349-51-5; chanoclavine; Chanoclavine-I; C09131; 2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-; SCHEMBL10822246; 2-Methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol-, (4R-(4alpha,5beta (E)))-; 2390-99-0; Chanoclavine I; 6,7-Secoergoline-8-methanol, 8,9-didehydro-6-methyl-, (E)-; Secaclavine; Isochanoclavin; 11012-16-1; Secaclavin; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4.beta.-(methylamino)benz[cd]indol-5.alpha.-yl]-; Chanoclavin-I; Benz[cd]indole, 2-propen-1-ol deriv.; 479-04-9 |
C16H20N2O |
256.34 |
CC(=CC1C(CC2=CNC3=CC=CC1=C23)[NH2+]C)CO |
|
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 |
|
TCMBANKIN018774 |
Tuberosine A |
tuberosine a; (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acrylamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide |
C25H31NO10 |
505.51 |
COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
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 |
|
TCMBANKIN018789 |
eckol |
88798-74-7; CHEMBL471187; 1-(3,5-Dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin; 4-(3,5-dihydroxyphenoxy)-dibenzo(b,e)(1,4)dioxin-1,3,6,8-tetrol; D08MZY; Dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-; DTXSID40237333; ZINC6091359; 4-(3,5-dihydroxyphenoxy)oxanthrene-1,3,6,8-tetrol; AC1L3S7Z; BDBM50259982; CHEBI:65819; AIDS209851; Eckol; SCHEMBL2562621; Dibenzo(b,e)(1,4)-dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-; AIDS-209851; 4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol |
C18H12O9 |
372.28 |
C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)O)O |
|
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 |
|
|
TCMBANKIN018873 |
Orixinone |
1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbutan-2-one; 1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methyl-butan-2-one; orixinone |
C17H19NO5 |
317.34 g/mol |
CC(C)C(=O)CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC |
|
TCMBANKIN018881 |
Triptinin B |
triptinin b |
C20H26O3 |
314.4 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O |
|
TCMBANKIN018942 |
ACon1_001856 |
(1R,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; MEGxp0_001363 |
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN018981 |
difurocumenone |
|
C30H36O3 |
444.61 |
|
|
TCMBANKIN018986 |
(2R,3R,8R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-isopropenyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
(2R,3R,8R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-prop-1-en-2-yl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
|
354.38 |
|
|
TCMBANKIN019088 |
thalbaicalidine |
Thalbaicalidine |
C21H25NO5 |
371.43 |
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2O)OC)OC)OC)OC |
|
TCMBANKIN019133 |
2-(prop-2-enoytoxy)tetradecane |
|
|
284.49 |
|
|
TCMBANKIN019135 |
16-hydroperoxy-3,4-seco-mansumbin-3(28),13(17)- dien-3-oic acid |
|
C22H34O4 |
362.5 g/mol |
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3=CC(CC32C)OO)C |
|
TCMBANKIN019165 |
Vitamin B1.mol2 |
|
|
266.41 |
|
|
TCMBANKIN019189 |
Lactucin |
lactucin |
C15H16O5 |
276.28 |
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN019217 |
7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione |
7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-quinone |
|
242.26 |
|
|
TCMBANKIN019225 |
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane |
2-methylpropanoic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; 60410-89-1; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzoxol-4-yl] 2-methylpropanoate; 10β-hydroxy-6β-isobutyryl furanoeremophilane; 10beta-hydroxy-6beta-isobutyryl furanoeremophilane; C09685; 2-methylpropionic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] 2-methylpropanoate |
C19H28O4 |
320.4 g/mol |
CC1CCCC2(C1(C(C3=C(C2)OC=C3C)OC(=O)C(C)C)C)O |
|
TCMBANKIN019228 |
lithospermidin A |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 2-methylbutanoate; AC1NSXLW; lithospermidin a |
C21H24O7 |
388.41 |
CCC(C)C(=O)OC(C=CC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN019243 |
8β-ethoxy atractylenolide Ⅲ |
|
276.41 |
35.950919 |
|
|
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 |
|
TCMBANKIN019294 |
cyanidin 3-glucoside_qt |
|
|
285.29 |
|
|
TCMBANKIN019380 |
baohuoside Ⅵ |
|
822.89 |
6.056086 |
|
|
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 |
|
|
TCMBANKIN019578 |
7beta-(3-ethyl-cis-crotonoyloxy)-14-hydroxy-notonipetranone |
|
|
378.56 |
|
|
TCMBANKIN019631 |
glaucoside,d_qt |
cynanoside,j_qt; cynanoside,i_qt |
|
376.49 |
|
|
TCMBANKIN019643 |
Sesibiricin |
|
C20H24O4 |
328.4 |
CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OCC=C(C)C)OC)C |
|
TCMBANKIN019652 |
D-Phenylalanine |
EINECS 211-603-5; Spectrum4_000865; Spectrum5_001137; (2R)-2-amino-3-phenyl-propionic acid; 673-06-3; CHEBI:16998; (2R)-2-amino-3-phenylpropanoic acid; SPECTRUM1503391; KBio1_000453; C02265; KBio2_002205; 78030_FLUKA; KBio2_007341; (2R)-2-amino-3-phenyl-propanoic acid; NINDS_000453; Phenylalanine D-form; NCGC00163338-01; InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12; D-alpha-Amino-beta-phenylpropionic acid; SPBio_001436; CCRIS 6267; KBioSS_002205; IDI1_000453; Spectrum2_001558; NCI-C60195; NSC 25005; DivK1c_000453; (R)-2-Amino-3-phenylpropionic acid; P1751_SIGMA; Spectrum_001725; 10549-11-8; KBio2_004773; KBioGR_001529 |
C9H11NO2 |
165.19 |
C1=CC=C(C=C1)CC(C(=O)O)N |
|
TCMBANKIN019708 |
2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one_qt |
|
|
165.16 |
|
|
TCMBANKIN019725 |
Heracleifolinoside D |
|
|
799.07 |
|
|
TCMBANKIN019765 |
Femara |
Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-; BSPBio_001209; CGS-20267; C08163; Prestwick2_001025; CAS-112809-51-5; 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile; BPBio1_001331; Letrozole (JAN/USP/INN); SMR000466343; Letrozole; Prestwick1_001025; D00964; 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; NCGC00016973-01; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile; CGS 20267; Prestwick0_001025; MLS000759455; FEM-345; Prestwick3_001025; SPBio_003070; 112809-51-5; Femara (TN); NSC719345; Letrozole [USAN:INN] |
C17H11N5 |
285.3 |
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 |
|
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 |
|
|
TCMBANKIN019799 |
chelamine |
|
C20H19NO6 |
369.37 |
|
|
TCMBANKIN019814 |
GLV |
Formylformic acid; 2-oxo carboxylic acids; 260150_ALDRICH; Glyoxylic acid (8CI); Formic acid, formyl-; CHEBI:16891; GLYOXALATE, GLYOXYLATE; EINECS 206-058-5; Glyoxylic acid solution; Glyoxalsaeure; CHEBI:35910; glyoxylic acid; 298-12-4; Kyselina glyoxylova [Czech]; Acetic acid, oxo-; HSDB 5559; NSC 27785; .alpha.-Ketoacetic acid; Oxoacetic acid; Glyoxylsaeure; Formic acid, formyl; oxaldehydic acid; G1134_SIGMA; Acetic acid, oxo- (9CI); CCRIS 1455; alpha-Ketoacetic acid; WLN: VHVQ; BRN 0741891; NSC27785; glyoxalate; Acetic acid, oxo; Oxalaldehydic acid; 2-oxo monocarboxylic acids; 4-03-00-01489 (Beilstein Handbook Reference); GLYOX; Glyoxalic acid; 2-Oxo acid; Oxoethanoic acid; 50711_FLUKA; C00048 |
C2H2O3 |
74.04 |
C(=O)C(=O)O |
|
TCMBANKIN019834 |
2-(1-methoxyindol-3-yl)acetonitrile |
2-(1-methoxyindol-3-yl)ethanenitrile; 2-(1-methoxy-3-indolyl)acetonitrile |
C11H10N2O |
186.21 g/mol |
CON1C=C(C2=CC=CC=C21)CC#N |
|
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 |
|
TCMBANKIN019898 |
tangshenoside III_qt |
|
|
402.48 |
|
|
TCMBANKIN019907 |
Danshenol A |
189308-08-5; (1R)-10beta-Hydroxy-10-(2-oxopropyl)-1beta,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-11(10H)-one; danshenol a; (1R,10S)-10-acetonyl-10-hydroxy-1,6-dimethyl-1,2-dihydronaphtho[1,2-g]benzofuran-11-one; AKOS032962671; (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzoxol-11-one; 910856-25-6; Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R-trans)-; Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-; Danshenol C |
C21H20O4 |
336.38 |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
|
TCMBANKIN019913 |
dl-3n-butylphthalide |
(3R)-3-butyl-3H-isobenzofuran-1-one; (3R)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN019942 |
vitamin e |
vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher |
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN019953 |
lanceol |
|
C15H24O |
220.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)CO |
|
TCMBANKIN020005 |
Dehydrocrebanine |
6,7-Dihydro-9,10-dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline; 77784-22-6; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-9,10-dimethoxy-7-methyl-; dehydrocrebanine ; CCRIS 3812 |
C20H19NO4 |
337.37 |
CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3 |
|
TCMBANKIN020013 |
octadec-7-enoic acid |
7E-octadecenoic acid; (E)-octadec-7-enoic acid; LMFA01030069; trans-7-octadecenoic acid |
C18H34O2 |
282.5 g/mol |
CCCCCCCCCCC=CCCCCCC(=O)O |
|
TCMBANKIN020019 |
glyceryl-1-monobehenate |
|
C10H14O |
150.22 |
|
|
TCMBANKIN020033 |
(2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
6-(2,4-Dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one; 6-(2,4-Dihydroxy-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydro-furo[3,2-g]chromen-7-one; (2S)-6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one; InChI=1/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H; (2S)-6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 6-(2,4-dihydroxyphenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-; 6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
|
384.41 |
|
|
TCMBANKIN020082 |
4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid |
(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid; GA19; CHEBI:28731 |
C20H26O6 |
362.42 |
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O |
|
TCMBANKIN020119 |
Dihydrosanguinarine |
AIDS-106789; Dihydro Sanguinarine; ZINC895645; HY-N0902; 3586AH; ZB015056; Hydrosanguinarine; AIDS106789; dihydroavicine; CC-26826; UNII-3H1ZKG80F7; C20H15NO4; MolPort-039-139-629; AKOS030526138; AK546683; CHEMBL465678; FT-0667147; C05191; 3606-45-9; 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; AC1Q6ZQL; 3arv; 24-METHYL-5,7,18,20-TETRAOXA-24-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(2).0(1)?,(2)(1)]TETRACOSA-1,3,8,10,12,14(22),15,17(21)-OCTAENE; CS-3819; dihydrosanguinarine; 13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine; 13,14-Dihydrosanguinarine; SCHEMBL420383; C-23832; Ambap3606-45-9; 13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; DTXSID00189627; 3lle; 3as0; 3H1ZKG80F7; CHEBI:17209; (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine, 13,14-dihydro-13-methyl-; AC1L3XTP |
C20H15NO4 |
333.34 |
CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6 |
|
TCMBANKIN020175 |
methyl calvatate |
AC1NSY94; cyanoimino-(4-methoxycarbonylphenyl)-oxidoazanium |
C9H7N3O3 |
205.19 |
COC(=O)C1=CC=C(C=C1)[N+](=NC#N)[O-] |
|
TCMBANKIN020231 |
Dihydrocorynantheine |
Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (2S-(2alpha(E),3alpha,12balpha))-; 7729-22-8; Isocorynantheidine; Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3S,12bR)-; dihydrocorynantheine; Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3beta,16E,20beta)-; 3-Isocorynantheidine; UNII-2CB4G689XT; 2CB4G689XT; 17,18-Seco-3beta,20alpha-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)- |
C22H28N2O3 |
368.47 |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN020238 |
4',5,7-trihydroxy-6,8-dimethyl-homoisoflavanone |
|
|
314.36 |
|
|
TCMBANKIN020276 |
balnoaphonin |
|
|
356.4 |
|
|
TCMBANKIN020283 |
methyl 2-hydroxy-3,4-dimethoxybenzoate |
ODKFBQCYKKPNLJ-UHFFFAOYSA-N; 2-hydroxy-3,4-dimethoxy-benzoic acid methyl ester; methyl 2-hydroxy-3,4-dimethoxy-benzoate; 6395-23-9; methyl 2-hydroxy-3,4-dimethoxy benzoate; SCHEMBL1434290; 2-hydroxy-3,4-dimethoxybenzoic acid methyl ester; Methyl 2-hydroxy-3,4-dimethoxy benzoate; Methyl 3,4-dimethoxy-2-hydroxybenzoate; AC1NSYFM; 3,4-Dimethoxysalicylic acid methyl ester |
C10H12O5 |
212.2 |
COC1=C(C(=C(C=C1)C(=O)OC)O)OC |
|
TCMBANKIN020286 |
2',4'-dihydroxy-6'-methhoxychalcone |
|
C16H14O4 |
270.28 |
|
|
TCMBANKIN020296 |
4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol |
4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol; 4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol |
C20H22O5 |
342.39 |
|
|
TCMBANKIN020346 |
indican_qt |
|
C14H17NO6 |
295.29 |
|
|
TCMBANKIN020347 |
phelloptorin |
|
|
300.33 |
|
|
TCMBANKIN020403 |
peonidin |
Peonin_qt; Paeonidin |
C16H13O6+ |
301.27 g/mol |
COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O |
|
TCMBANKIN020411 |
1-Hydroxy-2,3,4,5-tetramethoxyxanthone |
1-hydroxy-2,3,4,5-tetramethoxy-9-xanthenone; Xanthone, 1-hydroxy-2,3,4,5-tetramethoxy-; 1-hydroxy-2,3,4,5-tetramethoxy-xanthone; 1-hydroxy-2,3,4,5-tetramethoxyxanthone; 1-hydroxy-2,3,4,5-tetramethoxy-xanthen-9-one; 1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one |
C17H16O7 |
332.3 |
COC1=CC=CC2=C1OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC |
|
TCMBANKIN020412 |
artonin U |
|
C21H20O5 |
352.4 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC)C |
|
TCMBANKIN020448 |
Dihydrocubebin |
C10558; (+)-Dihydrocubebin; dihydrocubebin; CHEMBL1641904; (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-; 24563-03-9; ZINC6528354; CHEBI:70490; Dihydrocubebin, rel- |
C20H22O6 |
358.39 |
C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
|
TCMBANKIN020506 |
Moracin D |
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol; 7-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol; 69120-07-6; 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol; InChI=1/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H; moracin d; AC1LD2Q7; CHEMBL463241; 7-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-5-ol, 9CI; 2H-1-benzopyran-5-ol, 7-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-; MoracinD; AKOS032962426; MolPort-039-338-369; 7-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-chromen-5-ol; BDBM50062362; ZINC14610053; SCHEMBL6822795; 7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-chromen-5-ol |
C19H16O4 |
308.33 |
CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C |
|
TCMBANKIN020509 |
1,7- dihydroxy-3,5-dimethoxy xanthone |
|
C15H12O6 |
288.25 |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3OC)O)O |
|
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 |
|
|
TCMBANKIN020717 |
7-oxoroyleanone2 |
|
|
330.46 |
|
|
TCMBANKIN020752 |
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN020777 |
(2R,3S)-2-amino-3-hydroxy-succinic acid |
(2R,3S)-2-amino-3-hydroxy-butanedioic acid; Lopac-H-2775; (2R,3S)-2-amino-3-hydroxybutanedioic acid; NCGC00015504-01 |
C4H7NO5 |
149.1 |
C(C(C(=O)O)O)(C(=O)O)N |
|
TCMBANKIN020779 |
eupatolitin |
Eupatolitin; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4-chromenone; Eupatoletin; 3,5,3',4'-tetrahydroxy-6,7-dimethoxyflavone; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; AC1NSVDG; MolPort-044-754-131; 3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone; 29536-44-5; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromone; DTXSID80183724; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one; LMPK12112994; CHEBI:81340; C17788; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromen-4-one |
C17H14O8 |
346.3 g/mol |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC |
|
TCMBANKIN020787 |
14-pentadecenoic acid |
pentadec-14-enoic acid; LMFA01030053 |
C15H28O2 |
240.38 |
C=CCCCCCCCCCCCCC(=O)O |
|
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 |
|
|
TCMBANKIN020800 |
1-hydroxy-2,3,5,7-tetramethoxyxanthone |
|
C17H16O7 |
332.3 g/mol |
COC1=CC2=C(C(=C1)OC)OC3=CC(=C(C(=C3C2=O)O)OC)OC |
|
TCMBANKIN020801 |
(2S,3R,3aR,7R,7aS)-7-allyl-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-2,3,7,7a-tetrahydrobenzofuran-6-one |
(2S,3R,3aR,7R,7aS)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one |
C21H24O6 |
372.41 |
|
|
TCMBANKIN020891 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid |
|
|
374.48 |
|
|
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 |
|
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 |
|
TCMBANKIN020949 |
papaverine |
Cepaverin; AOB5339; 58-74-2; MFCD00012745; ZINC00056555; NCI60_003183; Drapavel; DSSTox_RID_77939; NCI-C56359; Myobid; BB_NC-0726; H754; Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride; Papaverine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material; Dynovas; Artegodan; Papavarine chlorhydrate; DTXSID9025825; NCGC00094258-03; Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride; 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; Alapav; Papacon; AIDS000185; NSC35443 (HCL); SMR000058283; KBioGR_000914; Spasmo-Nit; Papavarine hydrochloride; HMS1569F08; 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-isoquinoline; DSSTox_CID_5825; Papaverine hydrochloride (JP17/USP); Pameion; NCGC00094258-06; BSPBio_002153; Chlorhydrate de papaverine [French]; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride (1:1); SBB080541; AIDS-000185; Oprea1_387689; 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline; I01-13837; Optenyl; CTK8G2272; Papaverine Hcl; WLN: T66 CNJ B1R CO1 DO1& HO1 IO1; Dispamil; Lopac0_000957; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; Isoquinoline,7-dimethoxy-1-veratryl-, hydrochloride; MLS000028497; KBio2_005607; Lapav; Ro-Papav; Papanerin-HCl [German]; Cardiospan; Tox21_110226_1; TNP00305; Pavnell; HMS1920F06; LP00957; Pavagrant; SR-01000003098-2; SDCCGMLS-0003037.P003; AC1L1LRO; 6,7,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride; 6,7-Dimethoxy-1-veratrylisoquinoline; Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl); TR-031684; Pavacot; Papaverine hydrochloride, United States Pharmacopeia (USP) Reference Standard; Paveron; Spectrum4_000467; Spectrum_000071; LS-267; SR-01000003098-11; Forpavin; Durapav; Cardoverina; Prestwick2_000583; Papaverine hydrochloride, powder; CCRIS 3804; 5-21-06-00182 (Beilstein Handbook Reference); Paverolan; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride; 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline; FT-0631269; ACon1_002094; NCGC00094258-04; EINECS 200-397-2; Papaverine; AC1Q3DLI; CHEMBL98123; Pavadel; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride; 58-74-2 (Parent); InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H; REGID_for_CID_6084; BBC/116; Dipav; NCGC00094258-01; P0016; SPBio_002645; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline; 6,7-Dimethoxy-1-veratrylisoquinoline hydrochloride; NCGC00261642-01; PubChem6305; Cerebid; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; Oprea1_810508; Vasal; Papanerin; P 3510; 23473EC6BQ; Pharmakon1600-01500459; C06533; Lopac-P-3510; Vaso-Pav; SCHEMBL121268; DivK1c_000321; Papaverina [Italian]; NSC136630; NSC 136630; KBio2_000471; Spectrum3_000537; MLS002222208; component of Copavin; 58-74-2 (FREE BASE ); Therapav; BG00717685; Prestwick1_000583; Pavacen; Copavin; AK-67336; Dilaves; PAP H; 4-[(6,7-dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene, chloride; UNII-23473EC6BQ; NCGC00015810-01; Papaversan; Tox21_500957; DSSTox_GSID_25825; Papaverine chlorohydrate; Papaverine hydrochloride [USAN:JAN]; EINECS 200-502-1; EU-0100957; Robaxapap; NCGC00094258-02; Papaverine hydrochloride [USP:JAN]; Papaverine, hydrochloride; Papaverine (hydrochloride); PAPAVERINE HYDROCHLORIDE; Prestwick0_000583; MEGxp0_001880; Delapav; D02218; Pavacap; BPBio1_000470; Ceraspan; AS-13262; NCGC00015810-03; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride; Papanerin-hcl; NCGC00015810-12; KB-146860; RS 47; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride; CAS-61-25-6; UOTMYNBWXDUBNX-UHFFFAOYSA-N; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride (1:1); Papaverin; ACon1_000238; KBio2_003039; Prestwick3_000583; Pavabid (TN); Papaverine monohydrochloride; WLN: T66 CNJ B1R CO1 DO1& HO1 IO1 &GH; NSC757256; Pavatest; Papaverinium chloride; SR-01000003098; ST077145; ST023301; Pavakey; NSC-35443; BRN 0312930; Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI); SR-01000003098-9; 61-25-6 (HCL); SPBio_001015; NSC35443; MLS001148655; BSPBio_000426; IDI1_000321; Spectrum2_000978; Pavased; SPECTRUM1500459; Papanerine; NSC-757256; NCGC00094258-05; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)-isoquinoline hydrochloride; KBioSS_000471; HY-18077A; Papaverine hydrochloride, European Pharmacopoeia (EP) Reference Standard; BG01663857; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinolinehydrochloride; S-M-R; 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; NINDS_000321; Papalease; Papaverine hydrochlorid; KBio3_001653; Pap-Kaps-150; MolPort-000-847-203; NCGC00015810-02; Isoquinoline, 6,7-dimethoxy-1-veratryl-; API0003748; CCG-40065; CS-5015; BAS 00674058; ARONIS23834; AKOS005111070; 61-25-6; NSC 35443; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene; C20H22ClNO4; 1-(3,7-dimethoxyisoquinoline hydrochloride; Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride (8CI); Tox21_110226; 6,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline; Spectrum5_001188; Opera_ID_1617; Prestwick_376; SR-01000003098-4; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; KBio1_000321 |
C20H21NO4 |
339.39 |
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
|
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 |
|
TCMBANKIN020973 |
(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxolan-3-ol |
(2R,3R,4S)-2-(6-amino-9-purinyl)-4-(hydroxymethyl)-3-tetrahydrofuranol; (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-methylol-tetrahydrofuran-3-ol; (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)tetrahydrofuran-3-ol |
C10H13N5O3 |
251.24 |
|
|
TCMBANKIN020987 |
Kampferol-3,4'-dimethyl ether |
NCIMech_000178; Flavone, 5,7-dihydroxy-3',4'-dimethoxy-; NSC128305; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one; Kampferol-3, 4'-dimethyl ether; 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromone; 5,7-Dihydroxy-3',4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy- (9CI); 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-5,7-dihydroxy-; 5,7-Dihydroxy-3', 4'-dimethoxyflavone; Flavone, 5,7-dihydroxy-3',4'-dimethoxy- (8CI); 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4-chromenone; NSC 128305; Kaempferol 3,4'-dimethyl ether; NCI60_000644; AIDS126794; AIDS-126794; 4712-12-3 |
C17H14O6 |
314.29 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC |
|
TCMBANKIN020999 |
3-isopropyl-6-isobutyl-2,5-piperazinedione |
|
C11H20N2O2 |
212.29 |
|
|
TCMBANKIN021011 |
9(S)-HOTrE |
9-Hydroxy-10,12,15-octadecatrienoic acid; (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid; 9-OH-10,12,15-Odta; 89886-42-0; 10-12-15-Octadecatrienoic acid, 9-hydroxy-, (S-(E,Z,Z))-; LMFA02000024; 9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid |
C18H30O3 |
294.43 |
CCC=CCC=CC=CC(CCCCCCCC(=O)O)O |
|
TCMBANKIN021030 |
STOCK1N-08335 |
|
C20H23NO5 |
357.4 |
|
|
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 |
|
|
TCMBANKIN021081 |
maoyancaosu |
|
C18H14O7 |
342.3 |
C1C(OC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C(C4=CC(=C(C=C4)O)O)O |
|
TCMBANKIN021122 |
sedanoic-acid |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN021171 |
dan-shexinkum d |
|
|
336.41 |
|
|
TCMBANKIN021186 |
hexitol |
Allitol; ZINC03831017; InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H; 488-44-8; (2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol; GALACTITOL (D) |
C6H14O6 |
182.17 |
C(C(C(C(C(CO)O)O)O)O)O |
|
TCMBANKIN021213 |
(R)-(6-methoxy-4-quinolyl)-[(2R,4R,5S)-5-vinylquinuclidin-2-yl]methanol |
(R)-(6-methoxy-4-quinolyl)-[(2R,4R,5S)-5-vinyl-2-quinuclidinyl]methanol; (R)-[(4R,5S,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol |
C20H24N2O2 |
324.42 |
|
|
TCMBANKIN021214 |
suchilactone |
SCHEMBL15624884 |
C21H20O6 |
368.38 |
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
|
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 |
|
TCMBANKIN021384 |
syringaresnol diglucoside_qt |
syringaresinol diglucoside_qt |
C34H46O18 |
742.72 |
|
|
TCMBANKIN021453 |
stesakine |
Stesakine |
C19H19NO4 |
325.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)O)OCO3 |
|
TCMBANKIN021519 |
Fraxinol |
fraxinol; 6-hydroxy-5,7-dimethoxy-2-chromenone; 486-28-2; 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-; 6-hydroxy-5,7-dimethoxy-chromen-2-one; 6-hydroxy-5,7-dimethoxychromen-2-one; 6-hydroxy-5,7-dimethoxy-coumarin |
C11H10O5 |
222.19 |
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O |
|
TCMBANKIN021536 |
(Z)-9-Pentadecenoic acid |
(E)-pentadec-9-enoic acid; 1903-03-3; 9-Pentadecenoic acid, (Z)- |
C26H46N8O10 |
630.69 |
CCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN021600 |
Clarkeanidine |
6H-Dibenzo(a,g)quinolizine-1,9-diol, 5,8,13,13a-tetrahydro-2,10-dimethoxy-, (S)-; (13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol; 99615-99-3 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CCN3C2CC4=C(C3)C(=C(C=C4)OC)O)C=C1)O |
|
TCMBANKIN021653 |
4-(2-formyl-5-carbooxymethyl-pyrrole-1-yl)-3-phenyl-methyl propanoate |
|
|
301.37 |
|
|
TCMBANKIN021655 |
Hystl |
295086_ALDRICH; LCB 150; POLYBUTADIENE; Nisso PB-GQ 3000; Pseudobutylene; 105521-92-4; 29717-41-7; Butene-2; Hystl B 300; 1735-76-8; Dienite X 644; 2-BUTENE; trans-1,2-Dimethylethylene; 3-01-00-00732 (Beilstein Handbook Reference); Isoprene C4 products; Nisso PB 100; 2-BUTENE, (E)-; CCRIS 8971; (E)-But-2-ene; 37325-15-8; 2-trans-Butene; Butylene-2; .beta.-Butene; Butarez 15; trans-Butene; 107-01-7; trans-2-Butene; 2-Butene, mixture of cis and trans; EINECS 203-452-9; 9003-17-2; CB 10; beta-trans-Butylene; 1,3-Butadiene, polymers; Hydrocarbons, C4-unsatd.; EINECS 273-307-2; 1,3-Butadiene, homopolymer; Atactic butadiene polymer; Dienite 556; Dienite X 555; Nisso PB 3000; 363359_ALDRICH; 624-64-6; 29717-42-8; Butadiene resin; Dienite 643; 2-Butene-trans; Butadiene homopolymer; Nisso PR 2000; XRDR-A-288; FCR 1261; Nisso BN 1000; Budium RK 622; Hystl B 3000; (E)-2-Butene; 51810-44-7; Butadiene polymer; Alfine; Low-boiling butene-2; BRN 1718755; Hystl B 1000; HSDB 1196; Pbc200; Quintol B 1000; Diene 35 NF; 68956-54-7; Butene, mixed -1- and -2- isomers; B 7; HSDB 180; Poly-1,3-butadiene; Butene, 2-; B 11; beta-Butylene; Polyoil 110; EINECS 210-855-3; Butadiene oligomer; FCR 126; Nisso PB-B 4000; S 820; Polyoil 130; XPDR-A 288; FCR 1261pd; HSDB 5723; but-2-ene; Hystl B 2000; 2-Butene, (2E)-; Dimethylethylene; Nisso PB 4000; B 3000 |
C4H8 |
56.11 |
C=CC=C |
|
TCMBANKIN021676 |
1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene |
|
C18H20O3 |
284.38 |
|
|
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 |
|
TCMBANKIN021779 |
sorbose |
|
C6H12O6 |
180.16 g/mol |
C1C(C(C(C(O1)(CO)O)O)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 |
|
TCMBANKIN021895 |
pectin |
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid; 14982-50-4; (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; GTR; C08348; Galacturonic acid; (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid |
C6H10O7 |
194.14 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
|
TCMBANKIN021903 |
semiaquilegoside A_qt |
|
|
332.48 |
|
|
TCMBANKIN021909 |
Evodiamide |
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylaminobenzamide; AC1Q5FLA; A813575; Benzamide, N-(2-(1H-indol-3-yl)ethyl)-N-methyl-2-(methylamino)-; N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylamino-benzamide; 116965-70-9; evodiamide; n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide; AC1L4OQR |
C19H21N3O |
307.39 |
CNC1=CC=CC=C1C(=O)N(C)CCC2=CNC3=CC=CC=C32 |
|
TCMBANKIN021928 |
3-methoxy-4-acetoxycinnamyl angelate |
[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
C17H20O5 |
304.34 g/mol |
CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN021960 |
Pisatin |
C10516; MEGxp0_001256; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR-cis)-; 469-01-2; pisatin |
C17H14O6 |
314.29 |
COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O |
|
TCMBANKIN021965 |
baicalidine |
|
C21H23NO5 |
369.41 |
|
|
TCMBANKIN022057 |
podophyllotoxin |
Spectrum5_001368; AIDS002471; Spectrum2_000878; NCGC00022001-05; Prestwick0_000782; BPBio1_000974; RD4-6269; (-)-Podophyllotoxin; SPBio_002823; Spectrum_000199; AIDS-002471; BSPBio_002352; Podophyllotoxin 7; Podophyllinic acid lactone; Podophyllotoxin; KBio2_003247; Wartec; KBio2_000679; Warticon; UPCMLD-DP035:002; Condyline; NCGC00022001-09; DivK1c_000292; 1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one; Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone; Condylox; ST066914; 518-28-5; Condylox (TN); Podofilox (USAN); (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; CCRIS 565; Spectrum4_000592; SPBio_000955; Prestwick_1018; 81125_FLUKA; D05529; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-; BCBcMAP01_000165; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]; ND-1185; SDCCGMLS-0066888.P001; ZINC03861806; KBio2_005815; NCGC00022001-08; Podophyllotoxin (8CI); C10874; NCI60_001981; Podophyllotoxin (BAN); 858447_ALDRICH; SMR000059121; P4405_SIGMA; AI3-50456; Prestwick2_000782; EINECS 208-250-4; Prestwick1_000782; Prestwick3_000782; UPCMLD-DP035:001; NSC 24818; IDI1_000292; KBioGR_001084; B18-5C; KBio1_000292; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; NSC24818; Podofilox [USAN]; NINDS_000292; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; MLS000069495; HSDB 7238; BSPBio_000884; Mayapple isolate; SMP1_000243; Podofilox; KBioSS_000679 |
C22H22O8 |
414.41 |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
|
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 |
|
TCMBANKIN022084 |
Dihydrofukinolide |
dihydrofukinolide |
C22H32O6 |
392.49 |
CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C |
|
TCMBANKIN022132 |
Dihydrochelerythrine |
AIDS106788; 17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; AKOS032948894; AIDS-106788; 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; CTK5C8487; AC1Q703V; 1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine; [1,3]Benzodioxolo[5,6-c]phenanthridine,12,13- dihydro-1,2-dimethoxy-12-methyl-; 3arw; CHEMBL400359; 3037AH; ZINC04716567; DTXSID70218913; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-; ZINC4716567; 4CN-2633; HY-N0903; AC1LABLI; dihydrochelerythrine; 3as1; 1,2-dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine; 12,13-Dihydrochelerythrine; 6880-91-7; MolPort-000-165-434; CS-3820; SCHEMBL3864468 |
C21H19NO4 |
349.38 |
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5 |
|
TCMBANKIN022165 |
14(R)-hydroxy-7beta-isovaleroyloxyoplop-8(10)-en-2-one |
|
|
336.52 |
|
|
TCMBANKIN022213 |
(2R,3S)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol |
|
|
290.29 |
|
|
TCMBANKIN022234 |
Dimethyl (methylenedi-4,1-phenylene)biscarbamate |
methyl N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamate; NSC215914; N-[4-[4-(carbomethoxyamino)benzyl]phenyl]carbamic acid methyl ester; Oprea1_599045; 7450-63-7; N-[4-[[4-(methoxycarbonylamino)phenyl]methyl]phenyl]carbamic acid methyl ester; Carbamic acid, (methylenedi-4,1-phenylene)bis-, dimethyl ester |
C17H18N2O4 |
314.34 |
COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC |
|
TCMBANKIN022265 |
amaranthin_qt |
(E)-1-((E)-2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)indolinium-2-carboxylate_qt; gomphreninI_qt; gomphreninII_qt |
C30H34N2O19 |
726.59 |
|
|
TCMBANKIN022285 |
Gnaphalin |
gnaphalin |
C20H24O6 |
360.4 |
CC1CC(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)CO |
|
TCMBANKIN022290 |
isocorybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)O |
|
TCMBANKIN022298 |
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromone |
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4-chromenone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one; 1486-66-4; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one |
C17H14O7 |
330.29 |
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O |
|
TCMBANKIN022324 |
1-propenyl-2-vinyl-4-methylcycloheptane |
|
|
178.35 |
|
|
TCMBANKIN022327 |
norglaucing |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN022338 |
[(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (E)-2-methylbut-2-enoate |
ZINC00028037; (E)-2-methylbut-2-enoic acid [(9S)-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester; (E)-2-methylbut-2-enoic acid [(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester |
C19H20O5 |
328.36 |
|
|
TCMBANKIN022354 |
Quercetin-3-L-arabinon-7-D-glucoside_qt |
|
|
390.32 |
|
|
TCMBANKIN022402 |
Ibericin |
17526-17-9; 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione; 2-(ethoxymethyl)-1,3-dihydroxy-anthracene-9,10-dione; Anthraquinone, 2-(ethoxymethyl)-1,3-dihydroxy- (7CI,8CI); 2-Ethoxymethyl-1,3-dihydroxyanthraquinone; ANTHRAQUINONE, 1,3-DIHYDROXY-2-ETHOXYMETHYL-; BRN 2338041; 2-(ethoxymethyl)-1,3-dihydroxy-9,10-anthraquinone; 9,10-Anthracenedione, 2-(ethoxymethyl)-1,3-dihydroxy- (9CI); 2-(Ethoxymethyl)-1,3-dihydroxy-9,10-anthracenedione; 1,3-Dihydroxy-2-ethoxymethylanthraquinone; Lucidin ethyl ether; CCRIS 1643; ibericin |
C17H14O5 |
298.29 |
CCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
|
TCMBANKIN022422 |
(−)-Alloaromadendrene |
(−)-allo-Aromadendrene; 05680_FLUKA |
C10H18O |
154.25 |
|
|
TCMBANKIN022475 |
4',5-dimethoxyquercetin |
|
|
330.31 |
|
|
TCMBANKIN022514 |
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde |
(3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde; (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde |
C14H16O2 |
216.28 |
|
|
TCMBANKIN022517 |
3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)propan-1-one |
3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethyl-6-chromenyl)propan-1-one; 3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)propan-1-one |
C20H20O5 |
340.4 g/mol |
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC(=C(C=C3)O)O)C |
|
TCMBANKIN022520 |
kaempferol,3-glucoside_qt |
kaempferol,3-galactoside_qt |
|
286.25 |
|
|
TCMBANKIN022525 |
1,2-Dihydrocurcumin |
(4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-4,6-dien-3-one |
C21H22O6 |
370.4 g/mol |
COC1=C(C=CC(=C1)CCC(=O)C=C(C=CC2=CC(=C(C=C2)O)OC)O)O |
|
TCMBANKIN022537 |
Arteglasin A |
Oxireno(2,3)azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,7abeta,8abeta,8balpha,8cbeta))-; arteglasin a; C09303; 33204-39-6 |
C17H20O5 |
304.34 |
CC1=C2CC3C(C2C4C(C(C1)OC(=O)C)C(=C)C(=O)O4)(O3)C |
|
TCMBANKIN022549 |
shinpterocarpin |
|
C20H18O4 |
322.35 |
CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C |
|
TCMBANKIN022607 |
butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate |
butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propanoate; butyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]propanoate; 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propionic acid butyl ester; 3-[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]propanoic acid butyl ester |
|
414.5 |
|
|
TCMBANKIN022617 |
Xenognosin B |
CHEBI:17678; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromenone; 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chromone; 2'-Hydroxyformononetin; 2'-Hydroformononetin; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; C02920; 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one; 7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chromen-4-one; 1890-99-9; xenognosin b |
C16H12O5 |
284.26 |
COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN022661 |
Dodecatetraenamide, N-(2-methylpropyl)- |
(2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide; (2E,4E,6E,8E)-N-isobutyldodeca-2,4,6,8-tetraenamide; 68125-02-0 |
C16H25NO |
247.38 g/mol |
CCCC=CC=CC=CC=CC(=O)NCC(C)C |
|
TCMBANKIN022696 |
diosbulbinoside F_qt |
|
C26H34O12 |
538.54 |
|
|
TCMBANKIN022725 |
1,7-Dimethoxynaphthalene |
ZINC00159511; ST5409760; 575585_ALDRICH; Naphthalene, 1,7-dimethoxy- (8CI)(9CI); Naphthalene, 1,7-dimethoxy-; NSC59835; NSC 59835; 5309-18-2; InChI=1/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H |
C12H12O2 |
188.22 |
COC1=CC2=C(C=CC=C2OC)C=C1 |
|
TCMBANKIN022728 |
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene |
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
|
300.38 |
|
|
TCMBANKIN022736 |
(2S)-2-ammonio-6-ureidohexanoate |
ZINC01529431; (2S)-6-(aminocarbonylamino)-2-azaniumyl-hexanoate; (2S)-2-azaniumyl-6-ureido-hexanoate; (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate; (2S)-2-ammonio-6-ureido-hexanoate |
C7H15N3O3 |
189.21 |
C(CCNC(=O)N)CC(C(=O)[O-])[NH3+] |
|
TCMBANKIN022751 |
Lithospermidin B |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 3-methylbutanoate; AC1NSXLZ; 83415-79-6; lithospermidin b |
C21H24O7 |
388.4 g/mol |
CC(C)CC(=O)OC(C=CC(C)(C)O)C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O |
|
TCMBANKIN022758 |
LUTEOLINIDIN |
|
C15H11O5+ |
271.24 g/mol |
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O |
|
TCMBANKIN022772 |
C10328 |
Senecionan-11,16-dione, 12-hydroxy-, (15E)- (9CI); 480-79-5; NSC 79540; (15E)-12-Hydroxysenecionan-11,16-dione |
C18H25NO5 |
335.39 |
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C |
|
TCMBANKIN022801 |
3,4',5-Trihydroxy-7-methoxy-8-isopente-nylflavone |
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-4-chromenone |
C21H20O6 |
368.38 |
|
|
TCMBANKIN022811 |
Mulberrofuran N |
mulberrofuran n; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]benzofuran-6-ol; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-6-benzofuranol; 2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol |
|
392.53 |
CC(=CCC1=C(C(=C(C=C1O)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C |
|
TCMBANKIN022832 |
Duartin |
101311-04-0; (3R)-3-(3-hydroxy-2,4-dimethoxy-phenyl)-8-methoxy-chroman-7-ol; 7,3'-Dihydroxy-2',4',8-trimethoxyisoflavan; KBio2_006426; KBioGR_001943; DivK1c_006984; KBioSS_001290; Spectrum4_001602; Spectrum_000810; KBio2_001290; SpecPlus_000888; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxychroman-7-ol; Spectrum5_000323; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-7-chromanol; KBio2_003858; KBio1_001928; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-, (R)- |
C18H20O6 |
332.35 |
COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O |
|
TCMBANKIN022866 |
cynanoside,s_qt |
|
|
364.43 |
|
|
TCMBANKIN022890 |
dieckol |
|
C36H22O18 |
742.55 |
C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)OC5=C(C=C(C=C5O)OC6=C(C=C(C7=C6OC8=C(C=C(C=C8O7)O)O)O)O)O)O)O)O)O |
|
TCMBANKIN022932 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN022958 |
pontevedrine |
|
C21H19NO6 |
381.38 |
CN1C2=C3C(=CC(=C(C3=C4C=C(C(=CC4=C2)OC)OC)OC)OC)C(=O)C1=O |
|
TCMBANKIN022989 |
Moracin E |
moracin e; AC1NSYS2; 5-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-7-ol, 9CI; 5-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-7-chromenol; 5-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-chromen-7-ol; 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol; 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-7-ol; 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-chromen-7-ol; CHEMBL3397311 |
C19H16O4 |
308.3 g/mol |
CC1(C=CC2=C(C=C(C=C2O1)O)C3=CC4=C(O3)C=C(C=C4)O)C |
|
TCMBANKIN023039 |
bisdehydrostemoninine B |
|
|
387.52 |
|
|
TCMBANKIN023098 |
(2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one |
(2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one; ZINC04273377; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one; (2S,3S)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone |
|
518.56 |
|
|
TCMBANKIN023115 |
Gingerenone B |
7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one; AC1NSVUH; (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; gingerenone b; (E)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one |
C22H26O6 |
386.44 |
COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN023120 |
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxynaphthalene-2-carbaldehyde |
4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-naphthalene-2-carbaldehyde; 4-(3,4-dimethoxyphenyl)-6-hydroxy-5-methoxy-2-naphthalenecarboxaldehyde |
|
338.38 |
|
|
TCMBANKIN023122 |
phellamurin_qt |
dihydro avonol glucoside phellamurin_qt |
C26H30O11 |
518.51 |
|
|
TCMBANKIN023145 |
Coumurrayin |
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-chromenone; 5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one; coumurrayin; 5,7-dimethoxy-8-(3-methylbut-2-enyl)coumarin; 17245-25-9 |
C16H18O4 |
274.31 |
CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C |
|
TCMBANKIN023174 |
Dihydrophelloside_qt |
|
C32H42O17 |
698.67 |
|
|
TCMBANKIN023322 |
tectorigenin |
AK119808; 855130H9CO; KBio2_003809; Q-100619; K 251T; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; DivK1c_006241; SCHEMBL351641; KBio1_001185; I07-0272; 5-18-05-00311 (Beilstein Handbook Reference); ISOFLAVONE, 4',5,7-TRIHYDROXY-6-METHOXY-; GTPL9738; KBioSS_001241; NP-005651; AX8245224; CHEBI:9429; ZINC899915; LMPK12050385; Tectorigenine; BDBM50241222; 548T776; Spectrum_000761; AC1NQZ4T; 4',5',7-trihydroxy-6-methoxyisoflavone; BG01592771; 4CN-1307; 548-77-6; Tectorigenin; tectorigenin ; AN-45829; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; C10534; CS-0009804; 5,7,4'-Trihydroxy-6-methoxyisoflavone; DTXSID50203286; FT-0688353; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; SpecPlus_000145; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; KBio2_006377; MCULE-2089260732; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-; KBio2_001241; Y0198; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; AJ-24294; BRN 0305601; HY-N0792; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; MFCD00597094; MolPort-003-665-854; 4',5,7-Trihydroxy-6-methoxyisoflavone; LS-84477; Tectorigenin, analytical standard; AKOS015897084; N1647; CHEMBL242740; UNII-855130H9CO |
C16H12O6 |
300.26 |
COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN023350 |
Isolicoflavonol |
LMPK12111984; 94805-83-1; AIDS-060353; AIDS060353; CHEMBL457679; SR-01000765807; 5,7,4'-trihydroxy-3'-prenylflavonol; MLS000697735; BDBM50251003; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-; HMS2271L11; 9577AF; cid_5318585; SR-01000765807-2; 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromone; D0E5FV; AC1NSX1R; 4',5,7-Trihydroxy-3'-prenylflavonol; ZINC13130924; PGCKDCPTJAQQSQ-UHFFFAOYSA-N; MolPort-039-052-689; isolicoflavonol; BG01067669; SMR000470986; SCHEMBL5614138; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one |
C20H18O6 |
354.35 |
CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C |
|
TCMBANKIN023387 |
(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,7,8-triol |
|
|
290.29 |
|
|
TCMBANKIN023403 |
penylglucosazone |
|
|
358.44 |
|
|
TCMBANKIN023470 |
1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphernyl)-6-heptene-3,5-dione |
|
C21H22O7 |
386.43 |
|
|
TCMBANKIN023521 |
Myristargenol A |
|
C20H24O5 |
344.4 |
|
|
TCMBANKIN023522 |
isopentenyaldenosine |
|
|
335.41 |
|
|
TCMBANKIN023532 |
praerosideIV |
praeroside iv |
C20H24O9 |
408.4 |
CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O)C |
|
TCMBANKIN023571 |
(10E,13E)-octadeca-10,13-dienoic acid |
|
|
280.5 |
|
|
TCMBANKIN023632 |
3'-Methoxyglabridin |
AC1NSY37; 3'-methoxyglabridin; 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-methoxybenzene-1,3-diol; SCHEMBL10730635; LMPK12080018 |
C21H22O5 |
354.4 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)O)OC)O)C |
|
TCMBANKIN023636 |
3'-O-methyl taxifolin |
|
C16H14O7 |
318.28 g/mol |
COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN023661 |
9-Oxofarnesol |
9-oxofarnesol; AC1NSZBV; (6Z,10E)-12-hydroxy-2,6,10-trimethyl-dodeca-2,6,10-trien-4-one; (6Z,10E)-12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one |
C15H24O2 |
236.35 g/mol |
CC(=CC(=O)CC(=CCCC(=CCO)C)C)C |
|
TCMBANKIN023663 |
Methylenetanshinquinone |
Tanshinquinone, methylene-; 1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 67656-29-5; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-; methylene tanshinquinone; Methylene tanshinquinone; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; methylenetanshinquinone |
C18H14O3 |
278.3 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
|
TCMBANKIN023705 |
1,8-DIMETHYLNAPHTHALENE |
45786_RIEDEL; 569-41-5; EINECS 209-314-4; C14703; 282537_ALDRICH; Naphthalene, 1,8-dimethyl-; InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H |
C12H12 |
156.22 |
CC1=C2C(=CC=CC2=CC=C1)C |
|
TCMBANKIN023716 |
Laurifoline |
(+)-Laurifoline; AKOS032962360; 7224-61-5; CHEMBL235429; MolPort-039-052-582; laurifoline; ZINC2007968 |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C |
|
TCMBANKIN023742 |
(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one |
AIDS-227003; (2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; 9H-pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-, (2R,3R)-; (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one; AIDS227003; C09922 |
C20H18O8 |
386.35 |
COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O |
|
TCMBANKIN023876 |
14-acetoxy-7beta-angeloyloxy-notonipetranone |
|
|
406.57 |
|
|
TCMBANKIN023946 |
Corydalmine |
corydalmine ; corydalmine |
C20H23NO4 |
341.4 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)OC |
|
TCMBANKIN023973 |
penduletin |
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-; W1676; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one #; LMPK12112874; CTK1H1732; MolPort-035-705-982; SCHEMBL2217068; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one; 5-Hydroxy-2-(4-hydroxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; penduletin ; 2-(4-Hydroxyphenyl)-3,6,7-trimethoxy-5-hydroxy-4H-1-benzopyran-4-one (penduletin); 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one; 5,4'-Dihydroxy-3,6,7-trimethoxyflavone; CHEMBL165509; Penduletin; AKOS032948446; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one; 569-80-2; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one; YSXFFLGRZJWNFM-UHFFFAOYSA-N; BG01632786; 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromone; AC1NSZHZ; DTXSID00205437; 5,4''-dihydroxy-3,6,7-trimethoxyflavanone; BDBM50338973; ZINC14644952 |
C18H16O7 |
344.3 g/mol |
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN024004 |
olibanumol,a |
|
|
186.28 |
|
|
TCMBANKIN024016 |
Arnottianamide |
Formamide, N-(6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-; arnottianamide; N-[7-(2-hydroxy-3,4-dimethoxy-phenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methyl-formamide; N-[7-(2-hydroxy-3,4-dimethoxy-phenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methyl-methanamide; N-[7-(2-hydroxy-3,4-dimethoxyphenyl)-8-benzo[f][1,3]benzodioxolyl]-N-methylformamide; ZINC04716569; 60394-88-9; N-[7-(2-hydroxy-3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxol-8-yl]-N-methylformamide |
C21H19NO6 |
381.38 |
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O |
|
TCMBANKIN024050 |
(±)-lyoniresinol |
|
C22H28O8 |
420.45 |
|
|
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 |
|
TCMBANKIN024152 |
(+)-Anomalin |
[(9R,10R)-8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (E)-2-methylbut-2-enoate; (E)-2-methylbut-2-enoic acid [(9R,10R)-2-keto-8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; (+)-anomalin; (E)-2-methylbut-2-enoic acid [(9R,10R)-8,8-dimethyl-9-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester |
C24H26O7 |
426.46 |
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C |
|
TCMBANKIN024189 |
8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-coumarin |
8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-chromen-2-one; ZINC02154253; 8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxychromen-2-one; 8-[[(2S)-3,3-dimethyl-2-oxiranyl]methyl]-7-methoxy-2-chromenone |
C15H16O4 |
260.29 |
CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C |
|
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 |
|
TCMBANKIN024232 |
dichotomine,d |
|
|
328.4 |
|
|
TCMBANKIN024249 |
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene |
|
|
280.39 |
|
|
TCMBANKIN024297 |
8-geranoxy-5-methoxypsoralen |
|
|
368.46 |
|
|
TCMBANKIN024318 |
9H-xanthene-2-carboxylic acid |
|
C16H12O8 |
332.26 |
C1C2=CC=CC=C2OC3=C1C=C(C=C3)C(=O)O |
|
TCMBANKIN024400 |
chelamidine |
|
|
385.45 |
|
|
TCMBANKIN024482 |
meliotine |
NCI-C55890; melilotol; 3,4-dihydro-2H-chromen-2-one; 2H-1-benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-1-benzopyran-2-one; 1341-36-2; 2H-1-Benzopyran-2-one, 3, 4-dihydro-; COUMARIN,3,4-DIHYDRO; o-hydroxyhydrocinnamic acid delta-lactone; 5-17-10-00013 (Beilstein Handbook Reference); HSDB 4333; 2-chromanone; CHEBI:16151; melilotic lactone; c0397; WLN: T66 BOVT & J; EINECS 204-354-9; W238104_ALDRICH; NSC10121; Hydroxydihydrocinnamic acid lactone, o-; Melilotine; o-hydroxydihydrocinnamic acid lactone; Benzopyranone, dihydro-; 119-84-6; D104809_ALDRICH; 3,4-dihydrocoumarin; NCGC00091491-01; DIHYDROCOUMARIN; o-hydroxyhydrocinnamic acid lactone; AIDS124064; Usaf do-12; O-Hydroxycinnamic acid; FEMA No. 2381; Coumarin, 3,4-dihydro-; Chroman, 2-oxo-; melilotin; AIDS-124064; hydrocinnamic acid, o-hydroxy-,lactone; 3,4-Dihydro-2H-1-benzopyran-2-one; chroman-2-one; Dihydrobenzopyrone; C02274; Hydrocinnamic acid, o-hydroxy-, .delta.-lactone; NCI60_000035; 1,2-benzodihydropyrone; ST5308259; AI3-03425; Melilotic acid lactone; NSC 10121; Hydrocinnamic acid, o-hydroxy-, delta-lactone; Benzodihydropyrone; CCRIS 5803; BRN 0004584; InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H; hydrocoumarin; 2-Hydroxydihydrocinnamic acid lactone; Oxochroman; 3,4-Dyhydrocoumarin |
C9H8O2 |
148.16 |
C1CC(=O)OC2=CC=CC=C21 |
|
TCMBANKIN024492 |
dehydroglyasperins C |
|
|
340.4 |
|
|
TCMBANKIN024496 |
diosbuilbin L |
|
|
362.41 |
|
|
TCMBANKIN024501 |
1,4,6-trimethyl-1,2,3,4-tetralin |
|
|
174.31 |
|
|
TCMBANKIN024532 |
(S)-Cheilanthifoline |
(6aS)-9-methoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-8-ol; C05174; CHEBI:16233; 483-44-3; (6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN024559 |
9-hydroxythymol |
|
C10H14O2 |
166.22 g/mol |
CC1=CC(=C(C=C1)C(C)CO)O |
|
TCMBANKIN024587 |
DLA |
Lactic acid, D-; D-Lactic acid; (R)-Lactic acid; Propanoic acid, 2-hydroxy-,; CHEBI:42111; (-)-Lactic acid; EINECS 233-713-2; Poly-(L-lactide); 93578_FLUKA; Poly(L-lactide); 95468_FLUKA; (R)-2-Hydroxypropanoic acid; D-2-Hydroxypropanoic acid; (2R)-2-hydroxypropanoic acid; Propanoic acid, 2-hydroxy-, (2R)-; L0625_SIGMA; D-(-)-Lactic acid; P1566_SIGMA; (R)-2-Hydroxypropionsaeure; D-Milchsaeure; 1-Lactic acid; (R)-alpha-Hydroxypropionic acid; 531170_ALDRICH; (R)-(-)-Lactic acid; D-(−)-Lactic acid; Lactel BP-0600; C00256; D-2-Hydroxypropionic acid; (R)-2-Hydroxypropionic acid; Lactic acid (D); 94829_FLUKA; (R)-Milchsaeure; L-Lactide polymer; Propanoic acid, 2-hydroxy-, (R)-; (D)-(-)-Lactic acid |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN024733 |
(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxy phenyl)-1,6-heptadiene-3,5-dione |
|
|
354.38 |
|
|
TCMBANKIN024779 |
regaloside E_qt |
|
C20H26O12 |
458.41 |
|
|
TCMBANKIN024794 |
Diphyllin |
Oprea1_318204; NSC 309691; 9-Benzo[1,3]dioxol-5-yl-4-hydroxy-6,7-dimethoxy-3H-naphtho[2,3-c]furan-1-one; 9-(13-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one; ZINC00828203; 4-Hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3H)-one; MLS000106853; STOCK1N-00276; SMR000111229; 22055-22-7; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzoxol-1-one; C10559; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one; NSC309691; Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-; Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-; BAS 00442101; Oprea1_135417; diphyllin |
C21H16O7 |
380.35 |
COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC |
|
TCMBANKIN024806 |
gamma-Terpinyl acetate |
(1-methyl-4-propan-2-ylidene-cyclohexyl) ethanoate; (4-isopropylidene-1-methyl-cyclohexyl) acetate; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate; 1-Methyl-4-(1-methylethylidene)cyclohexyl acetate; acetic acid (4-isopropylidene-1-methyl-cyclohexyl) ester; acetic acid (4-isopropylidene-1-methylcyclohexyl) ester; (1-methyl-4-propan-2-ylidenecyclohexyl) acetate; LMPR01020101; C12302; 10235-63-9; EINECS 233-564-3; p-Menth-4-en-1-yl acetate |
C12H20O2 |
196.29 |
CC(=C1CCC(CC1)(C)OC(=O)C)C |
|
TCMBANKIN024856 |
Quinizarin |
CHEBI:37487; 37480_FLUKA; 9,10-Anthracenedione, 1,4-dihydroxy-; 1,4-dihydroxyanthraquinone; NSC 646569; 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE; NSC229036; ZINC03847495; Q906_ALDRICH; NSC40899; Quinizarine; NCI60_001089; EINECS 201-368-7; NSC 15367; ST5330576; 81-64-1; 1,4-Dihydroxyanthrachinon [Czech]; CI 58050; 1,4-Doa [Russian]; 1,4-Doa; 1,4-Dioxyanthraquinone [Russian]; 1,4-Dihydroxyanthraquinone; MEGxp0_001867; CCRIS 3524; ACon1_000101; Anthraquinone, 1,4-dihydroxy-; AI3-17616; HSDB 5242; InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16; Smoke Orange R; ZINC00135828; SR-01000637713-1; C.I. 58050; 1,4-Dihydroxy-9,10-anthracene-dione; AIDS-001374; AIDS001374; 1,4-Dihydroxy-9,10-anthraquinone; 1,4-Dihydroxyanthrachinon; NSC646569; Macrolex Orange GG; 1,4-dihydroxyanthracene-9,10-dione; quinizarin; 1,4-Dioxyanthraquinone; NSC15367; Solvent Orange 86; 103220-12-8; WLN: L C666 BV IVJ DQ GQ; Chinizarin; 1,4-dihydroxyanthra-9,10-quinone |
C14H8O4 |
240.21 |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O |
|
TCMBANKIN024880 |
Diosbulbin F |
2H-Naphtho(2,1-c)pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-9-hydroxy-10b-methyl-4,6-dioxo-, methyl ester, (2S-(2alpha,4abeta,6aalpha,7beta,9beta,10abeta,10balpha))-; methyl (2S,4aS,6aS,7R,9R,10aR,10bS)-2-(3-furyl)-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylate; (2S,4aS,6aS,7R,9R,10aR,10bS)-2-(3-furyl)-9-hydroxy-4,6-diketo-10b-methyl-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylic acid methyl ester; methyl (2S,4aS,6aS,7R,9R,10aR,10bS)-2-furan-3-yl-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylate; 66835-37-8; (2S,4aS,6aS,7R,9R,10aR,10bS)-2-(3-furyl)-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylic acid methyl ester |
C20H24O7 |
376.4 |
CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)OC)O)C4=COC=C4 |
|
TCMBANKIN024904 |
L-()-2,3-Butanediol |
ZINC00901619; 300349_ALDRICH; CHEBI:16812; (S,S)-(+)-2,3-butanediol; (S,S)-Butane-2,3-diol; (2S,3S)-()-2,3-Butanediol; 18967_FLUKA; C03046; (2S,3S)-butane-2,3-diol; (S,S)-2,3-Butylene glycol; (S,S)-2,3-Butanediol; 19132-06-0 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN024941 |
paeonin,b_qt |
|
|
196.22 |
|
|
TCMBANKIN024944 |
isoyatein |
|
C22H24O7 |
400.42 |
COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN024968 |
Citrusin B_qt |
citrusin B_qt |
C27H36O13 |
568.57 |
|
|
TCMBANKIN024980 |
Rhynchophylline A |
|
|
352.47 |
|
|
TCMBANKIN025034 |
2,3,4,7-tetramethoxyphenanthrene |
|
C18H18O4 |
298.3 g/mol |
COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC |
|
TCMBANKIN025118 |
3S,5R-dihydroxy -6R,7-megstigmadien-9-one |
|
|
224.33 |
|
|
TCMBANKIN025131 |
3-Pentanol,2,3-dimethyl- |
|
C7H16O |
116.2 g/mol |
CCC(C)(C(C)C)O |
|
TCMBANKIN025145 |
poriol |
|
C16H14O5 |
286.28 |
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
|
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 |
|
|
TCMBANKIN025222 |
14-acetoxy-7beta-(3-ethyl crotonoyloxy)notonlpetranone |
|
|
404.6 |
|
|
TCMBANKIN025224 |
hastatoside_qt |
|
C17H24O11 |
404.37 |
|
|
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 |
|
TCMBANKIN025252 |
N-[6-(9-acridinylamino)hexyl]benzamide |
N-[6-(acridin-9-ylamino)hexyl]benzamide |
|
397.56 |
|
|
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 |
|
TCMBANKIN025429 |
1'-Methoxy-2'-hydroxydihydromollugin |
methyl 3,6-dihydroxy-4-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate; AC1NSY3P; 1'-methoxy-2'-hydroxydihydromollugin |
C18H20O6 |
332.38 |
CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)OC)O)C |
|
TCMBANKIN025451 |
(1R,4aR,4bR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
(1R,4aR,4bR,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
C20H30O2 |
302.45 |
|
|
TCMBANKIN025490 |
methyl-2,3,6-tri-O-galloyl-β-D-glucopyranoside |
|
|
654.68 |
|
|
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 |
|
|
TCMBANKIN025687 |
Thiamine |
(Riboflavin); thiamine; thiamine chloride; vitamin b1 |
C12H18Cl2N4OS |
337.3 g/mol |
[H+].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-].[Cl-] |
|
TCMBANKIN025766 |
(+)-Syringaresinol-di-O-β-D-glucosid _qt |
|
C34H46O18 |
742.72 |
|
|
TCMBANKIN025846 |
Mycosinol |
AC1NQY4E; (3E)-3-hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]nona-1,7-dien-6-ol; (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-ol; (2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol; NSC-653382; mycosinol; 111768-19-5; CHEBI:7038; C08455; NSC653382; CHEMBL1968944 |
C13H10O3 |
214.22 |
CC#CC#CC=C1C=CC2(O1)C(C=CO2)O |
|
TCMBANKIN025853 |
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,6-diol |
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
C18H18O2 |
266.3 g/mol |
CC1=CC2=C(C3=C(CC2)C(=C(C=C3)O)C)C(=C1O)C=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 |
|
TCMBANKIN025968 |
3,3'-bis-(3,4-dihydro-4-hydroxy-6-methoxy)-2H-1-benzopyran |
|
C20H22O6 |
358.39 |
|
|
TCMBANKIN025980 |
1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone |
1-(5,7,8-trimethoxy-2,2-dimethyl-chromen-6-yl)ethanone; 1-(5,7,8-trimethoxy-2,2-dimethyl-6-chromenyl)ethanone; Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; Ketone, methyl 5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl |
C16H20O5 |
292.33 |
CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
|
TCMBANKIN025999 |
BB_NC-1760 |
|
C20H22O8 |
390.38 |
|
|
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 |
|
TCMBANKIN026045 |
9,10-Dihydrophenanthrene |
Phenanthrene, 9,10-dihydro-; EINECS 212-278-2; 776-35-2; NSC60018; Phenanthrene, 9,10-dihydro- (8CI)(9CI); InChI=1/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H; NSC 60018; 37349_FLUKA; D106003_ALDRICH |
C14H12 |
180.25 |
C1CC2=CC=CC=C2C3=CC=CC=C31 |
|
TCMBANKIN026066 |
Ariskanin A |
AC1NSZ0Y; ariskanin a; methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate; 128397-31-9 |
C18H15NO6 |
341.31 |
COC1=C(C2=C(C(=C1)C(=O)OC)C(=CC3=CC=CC=C32)[N+](=O)[O-])OC |
|
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 |
|
|
TCMBANKIN026131 |
Miltirone |
Rosmariquinone; CHEBI:34851; FEFAIBOZOKSLJR-UHFFFAOYSA-N; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthrenedione; 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; Miltiron; NSC-639662; 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; CJ-24294; SCHEMBL13568178; AC1L4N45; AC1Q6N8T; DTXSID20181683; 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AKOS015909796; AK554013; 20-Nor-5,7,9,13-abietatetraene-11,12-dione; C13715; D02UOE; 8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione; MolPort-027-720-891; API0026123; NSC 639662; CHEMBL45830; 27210-57-7; Y0137; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI; AIDS136736; BDBM50009219; AIDS-136736; Ambap27210-57-7; ZINC1537184; FT-0628947; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone; CTK4F9266; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-quinone; NSC639662; I14-31842; NCI60_013161; miltirone; 2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione |
C19H22O2 |
282.38 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
|
TCMBANKIN026248 |
kaempferol-3-O-α-L-rhamnoside_qt |
|
|
288.27 |
|
|
TCMBANKIN026250 |
Trimethylnaphthalene |
17057-91-9; TRIMETHYL NAPHTHALENE; EINECS 241-121-0; Naphthalene, trimethyl-; 1,3,8-TRIMETHYLNAPHTHALENE; 28652-77-9 |
C13H14 |
170.25 |
CC1=C2C(=CC(=CC2=CC=C1)C)C |
|
TCMBANKIN026257 |
3,3-Dimethylpent-1-ene |
3,3-Dimethyl-1-pentene; NSC74136; 1-Pentene, 3,3-dimethyl-; 3404-73-7; EINECS 222-286-8 |
C7H14 |
98.19 |
CCC(C)(C)C=C |
|
TCMBANKIN026341 |
diosbuibin J |
|
|
378.41 |
|
|
TCMBANKIN026357 |
austrobailignan-5 |
|
C20H22O4 |
326.39 |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN026390 |
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[decalin-4,2'-tetrahydropyran]-1-yl] acetate |
acetic acid [(1R,3R,4R,4aS,8aS)-6'-keto-3,4a,8,8-tetramethyl-spiro[decalin-4,2'-tetrahydropyran]-1-yl] ester; [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate; [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] ethanoate; acetic acid [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-1-spiro[decalin-4,2'-tetrahydropyran]yl] ester |
|
336.52 |
|
|
TCMBANKIN026396 |
8-hydroxy-1,2,6-trimethoxy-xanthone |
8-hydroxy-1,2,6-trimethoxy-xanthen-9-one; 20882-69-3; 8-Hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one; 8-hydroxy-1,2,6-trimethoxy-9-xanthenone; 1-Hydroxy-3,7,8-trimethoxyxanthen-9-one; 8-hydroxy-1,2,6-trimethoxyxanthen-9-one |
C16H14O6 |
302.28 |
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC |
|
TCMBANKIN026434 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate; 3-hydroxy-3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; 3-hydroxy-3-methyl-butyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester |
|
388.45 |
|
|
TCMBANKIN026437 |
chelilutine |
AC1NSTI5; 1,2,5-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
C22H20NO5+ |
378.4 g/mol |
C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN026491 |
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol |
|
|
306.29 |
|
|
TCMBANKIN026539 |
belamcandin |
|
C19H18O7 |
358.3 g/mol |
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC)OC |
|
TCMBANKIN026544 |
Danshenol B |
CHEMBL2261307; Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R-trans)-; danshenol b; DTXSID80172335; Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R,10S)-; AC1MJ0RA; MolPort-039-339-186; ZINC13431690; (1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[8,7-g][1]benzoxol-11-one; (1R,10S)-10-acetonyl-10-hydroxy-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-11-one; (1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one; 189308-09-6 |
C22H26O4 |
354.44 |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O |
|
TCMBANKIN026596 |
3,23-dihydroxy-12-oleanen-28-oic acid |
|
|
518.56 |
|
|
TCMBANKIN026678 |
oxyavicine |
|
C20H13NO5 |
347.3 g/mol |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC6=C(C=C5C1=O)OCO6 |
|
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 |
|
|
TCMBANKIN026811 |
chelidonine |
CHEMBL1966935; Stylophorin; Prestwick0_000587; CHEBI:31389; AIDS002651; Prestwick2_000587; NSC646661 (FREE BASE); MEGxp0_001421; Chelidonine; AIDS-002651; BPBio1_000478; Prestwick1_000587; Prestwick3_000587; BSPBio_000434; 5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol;[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-; Chelidonin; NSC406034; SPBio_002653; 476-32-4; C12242; NSC-406034; ACon1_000007 |
C20H19NO5 |
353.37 |
CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 |
|
TCMBANKIN026818 |
bocconine |
bocconine; chelirubin(e) |
|
362.38 |
|
|
TCMBANKIN026822 |
11,13-Dimethyl-12-tetradecen-1-ol acetate |
|
C18H34O2 |
282.5 g/mol |
CC(CCCCCCCCCCOC(=O)C)C=C(C)C |
|
TCMBANKIN026824 |
CREBANINE |
NSC335648; NCI60_002939; Crebanine |
C20H21NO4 |
339.39 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
|
TCMBANKIN026873 |
(-)-Olivir |
(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)-3-tetrahydrofuranol; (3S,4R,5S)-3-(4-hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-ol; AIDS224555; 3-Furanmethanol, 2-(4-hydroxy-3-methoxyphenyl)tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4S)-; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)tetrahydrofuran-3-ol; AIDS-224555 |
C26H34O12 |
538.54 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN026918 |
coryincine |
|
|
354.49 |
|
|
TCMBANKIN027007 |
Spinacetin |
spinacetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one |
C17H14O8 |
346.29 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O |
|
TCMBANKIN027045 |
morintrifolins B |
|
|
378.36 |
|
|
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 |
|
TCMBANKIN027172 |
9-Oxonerolidol |
9-oxonerolidol |
C15H24O2 |
236.35 g/mol |
CC(=CC(=O)CC(=CCCC(C)(C=C)O)C)C |
|
TCMBANKIN027224 |
erysodienone |
|
C18H19NO4 |
313.35 |
COC1=C(C=C2CCN3CCC4=CC(=O)C(=CC43C2=C1)OC)O |
|
TCMBANKIN027260 |
flavane-3,4-diol |
Leucoanthocyanins |
|
242.29 |
|
|
TCMBANKIN027298 |
Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone |
2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698 |
C8H12N4O |
180.21 |
CC1=CC(=O)NC(=N1)NN=C(C)C |
|
TCMBANKIN027411 |
leonticine |
|
C20H25NO3 |
327.42 |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
|
TCMBANKIN027433 |
Kudos |
Dragon; 3-Phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate; Permetrina [Portuguese]; Ambushfog; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-(+)-; Ectiban; BRN 2063148; Permitrene (Hungarian); 54774-45-7; Bematin 987; Acticin; Pramex; m-Phenoxybenzyl (+1)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Kavil; Stomoxi; Permethrin; 63364-00-1; Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, 3-phenoxybenzyl ester, (+-)-, (cis,trans)-; JF 7065; Exmin; Chinetrin; Permethrine; PP 557; Diffusil H; SBP-1513TEC; Perigen W; m-Phenoxybenzyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; AI3-29158; Talcord; Stomozan; Kestrel; SBP 15131TEC; SBP-1513; (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [3-(phenoxy)phenyl]methyl ester; BW-21-Z; Eksmin; Kafil; CIS-PERMETHRIN; m-Phenoxybenzyl (+-)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Efmethrin; Expar; CCRIS 3486; Stomoxin; EINECS 258-067-9; Permit; OMS 1821; Caswell No. 652BB; Dragnet; LE 79-519; Coopex; (+)-CIS-PERMETHRIN; Stomoxin P; Permasect-25EC; Kaleait; (3-Phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate; Picket; Corsair; 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester; FMC 33297; (1R)-cis-Permethrin; 52645-53-1; 57608-04-5; Outflank; HSDB 6790; Permethrin,racemic; Permethrine [ISO-French]; Permethrinum [Latin]; C14388; 3-Phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Permasect; Perthrine; AI3-29264; 3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Cosair; Exsmin; EINECS 263-346-3; S 3151; Elimite (TN); 61949-76-6; NRDC 143; 3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate; Lyclear; WL 43479; (3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate; Ambush; [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate; NIA 33297; [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate; Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)-; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester; Dragnet FT; Picket G; NRDC 167; Outflank-stockade; m-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Anomethrin N; S-3151; Elimite; EPA Pesticide Chemical Code 109701; Permetrin (Hungarian); Kestrel (pesticide); Antiborer 3768; Quamlin; D05443; 3-Phenoxybenzyl(+-)-cis, trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylate; Permethrin [ANSI:BSI:ISO]; MP79; ICI-PP 557; Permethrin [USAN:BAN:INN]; 93388-66-0; 60018-94-2; CCRIS 2001; Pounce; 75497-64-2; Perigen; Cooper; 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester; (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid [3-(phenoxy)benzyl] ester; (+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Insorbcid MP; FMC 41655; Permethrin (USAN); Ridect Pour-On; [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropane-1-carboxylate; Imperator; Ipitox; Mitin BC; Permanone 80; Indothrin; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-; Ecsumin |
C21H20Cl2O3 |
391.29 |
CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
|
TCMBANKIN027462 |
FORSYTHINOL |
|
|
372.45 |
|
|
TCMBANKIN027466 |
hydroxyindirubin |
|
|
278.28 |
|
|
TCMBANKIN027477 |
Celafurine |
celafurine; AC1NSTG7; 9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one |
C21H27N3O3 |
369.5 g/mol |
C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C3=COC=C3 |
|
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-] |
|
TCMBANKIN027614 |
(+)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
400.51 |
|
|
TCMBANKIN027615 |
Isopropyl caprate |
n-Capric acid isopropyl ester; AI3-33575; propan-2-yl decanoate; Decanoic acid, 1-methylethyl ester; decanoic acid isopropyl ester; capric acid isopropyl ester; EINECS 219-001-4; ISOPROPYL DECANOATE; 2311-59-3 |
C13H26O2 |
214.34 |
CCCCCCCCCC(=O)OC(C)C |
|
TCMBANKIN027647 |
tuberosin |
7,7-DIMETHYL-8,12,20-TRIOXAPENTACYCLO[11.8.0.0(2),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-2(11),3,5,9,14(19),15,17-HEPTAENE-1,17-DIOL; LMPK12070125; MolPort-042-675-206; Tuberosin |
C20H18O5 |
338.4 g/mol |
CC1(C=CC2=CC3=C(C=C2O1)OC4C3(COC5=C4C=CC(=C5)O)O)C |
|
TCMBANKIN027675 |
PGR |
4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 |
76.09 |
CC(CO)O |
|
TCMBANKIN027676 |
[(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate |
(1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(1S)-3-[(E)-but-2-enyl]-4-keto-2-methyl-1-cyclopent-2-enyl] ester; [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate; (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester |
C20H28O3 |
316.43 |
|
|
TCMBANKIN027718 |
MHP |
m-hydroxyphenylpropionate; 3-HYDROXYPHENYL-PROPIONATE; 4-10-00-00630 (Beilstein Handbook Reference); AI3-32395; Dihydro-3-coumaric acid; NSC 33135; Benzenepropanoic acid, 3-hydroxy- (9CI); Hydrocinnamic acid, m-hydroxy-; .beta.-(3-Hydroxyphenyl)propionic acid; m-hydroxyphenylpropionic acid; 3-(3-hydroxyphenyl)propionic acid; 3-(3-hydroxyphenyl)propanoic acid; 3HPP; NSC 39468; Benzenepropanoic acid, 3-hydroxy-; BRN 1947445; NSC33135; .beta.-(m-Hydroxyphenyl)propionic acid; beta-(3-Hydroxyphenyl)propionic acid; 3-Hydroxybenzenepropanoic acid; C11457; 3-(3-hydroxyphenyl)propionate; 3-(3-Hydroxy-phenyl)-propanoic acid; NSC39468; beta-(m-Hydroxyphenyl)propionic acid; 621-54-5; CHEBI:1427; 3-(m-Hydroxyphenyl)propionic acid; EINECS 210-692-8; ST5407837; InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12; 3-Hydroxyphenylpropanoate; 3-Hydroxyphenylpropionic acid |
C9H10O3 |
166.17 |
C1=CC(=CC(=C1)O)CCC(=O)O |
|
TCMBANKIN027731 |
Isosinensetin |
2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-chromone; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-chromen-4-one; 6-Demethoxynobiletin; Y0015; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one; UYCWETIUOAGWIL-UHFFFAOYSA-N; LMPK12111403; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one; AC1LCKK0; Flavone, 3',4',5,7,8-pentamethoxy-; MolPort-027-637-295; UNII-63Z99S38LE; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-4-chromenone; 17290-70-9; 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one; 3',4',5,7,8-Pentamethoxyflavone; AKOS016012041; KB-221450; AJ-65275; isosinensetin; Isosinensetin3',4' ,5,7,8-pentamethoxyflavone; ZINC14645298; AK120372; AX8245788; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-; 63Z99S38LE; DTXSID80348199; SCHEMBL987761; 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one #; CHEMBL451707; 5,7,8,3',4'-pentamethoxyflavone |
C20H20O7 |
372.4 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC |
|
TCMBANKIN027745 |
diosbulbin D |
|
C19H20O6 |
344.36 |
CC12CC(OC(=O)C1CC(=O)C3C2CC4CC3C(=O)O4)C5=COC=C5 |
|
TCMBANKIN027796 |
berchemiasideA_qt |
|
|
178.2 |
|
|
TCMBANKIN027836 |
izmirine |
|
C20H21NO5 |
355.38 |
CC1OC2=C(O1)C3=C(C=CC4CC(=O)C=C(C4C(=CNC3)O)OC)C=C2 |
|
TCMBANKIN027968 |
tuberostemoamide |
|
C17H23NO4 |
305.37 |
|
|
TCMBANKIN027992 |
eriodictyol |
Eriodictyol; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; 552-58-9; CHEBI:28412; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; C05631; (S)-3',4',5,7-Tetrahydroxyflavanone; 74565_FLUKA; eriodictyol ; ERD; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; ZINC00058117; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one |
C15H12O6 |
288.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN028014 |
thalifendine |
Thalifendine chloride; CHEMBL491544 |
C19H16NO4+ |
322.3 g/mol |
COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O |
|
TCMBANKIN028033 |
diosbuilbin K |
|
|
376.44 |
|
|
TCMBANKIN028071 |
ZINC03996196 |
(1R,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
C22H26O6 |
386.44 |
|
|
TCMBANKIN028107 |
(+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt |
|
|
372.45 |
|
|
TCMBANKIN028141 |
verminoside_qt |
|
C24H28O13 |
524.47 |
|
|
TCMBANKIN028149 |
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran |
3-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tet; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydr |
C39H50O20 |
838.8 |
|
|
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 |
|
|
TCMBANKIN028329 |
(2S,12bR)-methyl 2-((E)-1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate |
|
|
350.45 |
|
|
TCMBANKIN028370 |
(R)-Allantoin |
CHEBI:15677; InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11; [(4R)-2,5-diketoimidazolidin-4-yl]urea; (R)(-)-Allantoin; C02348; N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea; [(4R)-2,5-dioxo-4-imidazolidinyl]urea; (R)-(-)-allantoin; ZINC00901026; urea, N-(2,5-dioxo-4-imidazolidinyl)-; [(4R)-2,5-dioxoimidazolidin-4-yl]urea |
C4H6N4O3 |
158.12 |
C1(C(=O)NC(=O)N1)NC(=O)N |
|
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 |
|
TCMBANKIN028425 |
4-(3-methylbut-2-enyl)-1H-indole |
4-(3-Methyl-2-butenyl)-1H-indole; 1H-Indole, 4-(3-methyl-2-butenyl)- |
C13H15N |
185.26 g/mol |
CC(=CCC1=C2C=CNC2=CC=C1)C |
|
TCMBANKIN028456 |
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol |
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,3-diol |
|
266.36 |
|
|
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 |
|
|
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 |
|
TCMBANKIN028667 |
12-Methoxy-6,8,11,13-abietatraen-11-ol |
12-methoxy-6,8,11,13-abietatraen-11-ol |
|
314.51 |
CC(C)C1=C(C(=C2C(=C1)C=CC3C2(CCCC3(C)C)C)O)OC |
|
TCMBANKIN028671 |
Litsoeine |
NSC 106610; 6a-alpha-NORAPORPHIN-9-OL, 1,2,10-TRIMETHOXY-; 6aalpha-Noraporphin-9-ol, 1,2,10-trimethoxy- (8CI); 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-; 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)- (9CI); Laurotetanin; Laurotetanine; 128-76-7; 1,2,10-Trimethoxy-6a-alpha-noraporphin-6-ol |
C19H21NO4 |
327.37 |
COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC |
|
TCMBANKIN028700 |
bilobetin |
4''-methylamentoflavone; CHEMBL378188; 4',5,5'',7,7''-Pentahydroxy-4'''-methoxy-3''',8-Biflavone; bilobetin ; 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; BG01786578; 3''',8-Biflavone, 4',5,5'',7,7''-pentahydroxy-4'''-methoxy-; AC1NST1Z; 521-32-4; FT-0708565; SCHEMBL13485655; 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 4CN-0824; 5,7-Dihydroxy-8-[2-methoxy-5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Bilobetin; ZINC3979028; DTXSID70200095; BDBM50323196; MolPort-006-069-278; W2786; AKOS032948310; 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Ambap521-32-4; 4'-Monomethylamentoflavone; 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone |
C31H20O10 |
552.48 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O |
|
TCMBANKIN028720 |
1-hydroxy-6-hydroxymethylanthracenequinone |
|
|
254.25 |
|
|
TCMBANKIN028754 |
desacetyl asperulosidic acid_qt |
|
C16H22O11 |
390.34 |
|
|
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 |
|
TCMBANKIN028927 |
kushenin |
AC1NSXEP; Kushenin; LMPK12070055; 3,9-Dihydroxy-8-methoxypterocarpan; 8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; 99217-66-0 |
C25H26O7 |
438.47 |
COC1=C(C=C2C(=C1)C3COC4=C(C3O2)C=CC(=C4)O)O |
|
TCMBANKIN029001 |
Lauryl stearate |
Stearic acid, dodecyl ester; octadecanoic acid dodecyl ester; Octadecanoic acid, dodecyl ester; EINECS 270-167-4; dodecyl octadecanoate; stearic acid lauryl ester; 68412-12-4; AI3-31619; Octadecanoic acid, C12-14-alkyl esters; Dodecyl stearate; EINECS 226-150-9 |
C30H60O2 |
452.8 g/mol |
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC |
|
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 |
|
|
TCMBANKIN029039 |
tuberostemonone |
4H-7,12-Methanofuro[3,2-e]azacyclododecine-2,4,14(3H)-trione, 13-ethyldecahydro-3-methyl-6-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (3S,3aS,6S,7R,12S,13R,13aS)-; CHQGOWAOLJKTQX-NNCXNHCTSA-N; Tuberostemonone |
C22H31NO6 |
405.48 |
CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C |
|
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 |
|
|
TCMBANKIN029097 |
(R)-Reticuline |
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (-)-reticuline; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 3968-19-2; (1R)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C05178; CHEBI:17428; (1R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol |
C19H23NO4 |
329.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN029129 |
7-demethyl-6-methoxy-5,6-dihydrochelerythrine |
|
C21H19NO5 |
365.38 |
|
|
TCMBANKIN029146 |
Moracin H |
CHEMBL3397395; moracin h; 5-{7-methoxy-12-methyl-3,10-dioxatricyclo[7.5.0.0;{2,6}]tetradeca-1,4,6,8,12-pentaen-4-yl}benzene-1,3-diol |
C20H18O5 |
338.4 g/mol |
CC1=CCC2=C3C(=C(C=C2OC1)OC)C=C(O3)C4=CC(=CC(=C4)O)O |
|
TCMBANKIN029162 |
18beta-glycyrrhetinic acid |
AJ-72559; Rhetinic Acid; C02283; GLYCYRRHETINIC ACID; 18-beta-Glycyrrhetinic acid; 1449-05-4; Glycyrrhetic acid; Hidermart; CHEMBL230006; SMR000058239; SR-01000721867-5; NCGC00142473-03; 18beta-Glycyrrhetinic acid, purum, >=97.0% (T); UNII-P540XA09DR; Enoxolone (Glycyrrhetin); 107420-91-7; Enoxolone, Glycyrrhetinic acid; CCRIS 3962; LMPR0106150014; 18beta-Glycyrrhetic acid; 4-10-00-03775 (Beilstein Handbook Reference); BB_NC-0599; HMS2233P23; LS-7417; (3?)-3-Hydroxy-11-oxoolean-12-en-30-oic acid; Opera_ID_1048; D0U8IF; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; NSC-35350; Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (8CI); AC-1925; Glycyrrhetinic acid; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; HY-N0180; Arthrodont; Hidermart (TN); DTXSID9020669; SR-01000721867-3; MLS002207101; Enoxolona; Glycyrrhetinic acid (JAN); A-Hydroxy-11-oxoolean-12-en-30-olic acid; SR-01000721867-6; Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-; (3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid; subglycyrrhelinic acid; SCHEMBL18540; 471-53-4; Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-; BG01168029; FT-0082445; BX-1; Glycyrrhetin; D00156; NCGC00017244-03; 202522-39-2; 18-beta-Glycyrrhetic acid; SR-01000721867-4; Enoxolonum [INN-Latin]; SBB006496; GM-1658; Q-201057; NSC-35347; NSC 35347; (5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-11-ene-8-carboxylic acid; alpha-Glycyrrhetinic acid; Tox21_112726; 130100-EP2295411A1; ZINC19203131; Biosone; D08LGJ; Bio-0549; Enoxolone; 18beta-Glycyrrhetinic acid; 3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid; Enoxolone (Glycyrrhetinic acid); 50510_FLUKA; BDBM50233538; Uralenic acid; NCGC00017244-04; P540XA09DR; 18beta-glycyrrhetic acid; C30H46O4; Jintan; Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo-; CAS-471-53-4; Tox21_200799; SR-01000721867; Enoxolone (INN); MLS001146949; MLS000028748; [(125)I] RB129; G10105_ALDRICH; (3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid; s2296; CCG-208506; 8055-71-8; EINECS 207-444-6; (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid; Enoxolona [INN-Spanish]; GlycyrrhetinicAcid; 18b-Glycyrrhetic acid; AC1L1UIT; 130100-EP2269977A2; KS-1262; Glycyrrhetinate; Glycyrrhetinic acid [JAN]; (3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid; BC201656; Enoloxone; Enoxolone [INN:BAN:DCF]; 18 beta-glycyrrhetinic acid; 3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid; enoxolone; DSSTox_RID_75722; 18 beta-Glycyrrhetintic Acid; DSSTox_CID_669; 3-Glycyrrhetinic acid; 3beta-hydroxy-11-oxoolean-12-en-29-oic acid; NCGC00181115-01; Enoxolone; STX-352; AKOS016036757; 15301-63-0; G0149; MFCD00003706; ST24038257; Enoxolone, European Pharmacopoeia (EP) Reference Standard; ST056310; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; AKOS015960428; 471G534; NCGC00258353-01; DB13089; Tox21_110804; CBW; DSSTox_GSID_20669; D0F6IV; MolPort-002-507-130; A827163; (3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid; 18beta-Glycyrrhetinic acid, 97%; CHEBI:30853; AC-8906; AN-14462; API0002854; BRN 2229654; Glyciram; 18beta-Glycyrrhetinic acid; MCULE-4676598997; 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid; 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid; BG00824432; Enoxolone [BAN:DCF:INN]; CS-W020624; S00284; Enoxolonum; 299198-00-8 |
C30H46O4 |
470.68 |
CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
|
TCMBANKIN029215 |
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
|
C22H23NO5 |
381.42 |
|
|
TCMBANKIN029216 |
aristolochic acid Ⅲa |
|
|
327.26 |
|
|
TCMBANKIN029243 |
Andrographin |
AC1NSWXN; andrographin; 5-Hydroxy-2/',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4-chromenone; 1165-40-8; 5-Hydroxy-2',7,8-trimethoxyflavone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromone; 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one; LMPK12111316; SCHEMBL6069963; 5-hydroxy-7,8,2'-trimethoxyflavone; Skullcapflavone I 2'-methyl ether |
C18H16O6 |
328.32 |
COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
|
TCMBANKIN029301 |
Oxyayanin B |
5,6-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromone; C10116; 4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-; Flavone, 3',5,6-trihydroxy-3,4',7-trimethoxy-; 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-chromenone; oxyayanin b; 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one; 548-74-3; 5,6-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one |
C18H16O8 |
360.31 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O |
|
TCMBANKIN029303 |
Rhamnazin |
3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromone; AIDS-147836; 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one; NSC678106; 3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-; NCI60_027977; AIDS147836; 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one; 552-54-5; Flavone, 3,4',5-trihydroxy-3',7-dimethoxy-; 3,5,4'-Trihydroxy-7,3'-dimethoxyflavone; rhamnazin; 3',7-Dimethylquercetin; 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-chromenone |
C17H14O7 |
330.29 |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O |
|
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 |
|
TCMBANKIN029421 |
Yinyanghuo D |
119240-82-3; 3'-Prenylnaringenin; (2S)-3'-(3,3-Dimethylallyl)-4',5,7-trihydroxyflavonone; AIDS071736; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one; Licoflavanone; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, (S)-; yinyanghuo d; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone; 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromone; AIDS-071736 |
C20H20O5 |
340.37 |
CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C |
|
TCMBANKIN029439 |
[(2S)-2-[[(2S)-2-(benzoylamino)-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate |
acetic acid [(2S)-2-[[(2S)-2-(benzoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propyl] ester; [(2S)-2-[[(2S)-2-(benzoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propyl] acetate; acetic acid [(2S)-2-[[(2S)-1-oxo-2-[(oxo-phenylmethyl)amino]-3-phenylpropyl]amino]-3-phenylpropyl] ester; [(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylamino)propanoyl]amino]propyl] ethanoate |
C27H28N2O4 |
444.52 |
|
|
TCMBANKIN029466 |
3-[4-(1H-indol-3-yl)-3H-thiazol-2-ylidene]indole |
ZINC00103926; BAS 03014776; AIDS153675; A2977/0125510; AP-048/15614121; (3E)-3-[4-(1H-indol-3-yl)-3H-thiazol-2-ylidene]indole; (3E)-3-[4-(1H-indol-3-yl)-3H-1,3-thiazol-2-ylidene]indole; NSC701758; 3-(2-(1H-Indol-3-yl)-1,3-thiazol-4-yl)-1H-indole; 3-[4-(1H-indol-3-yl)-3H-1,3-thiazol-2-ylidene]indole; NCI60_036516; AIDS-153675 |
C27H36O13 |
568.57 |
C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54 |
|
TCMBANKIN029503 |
isogosferol |
9-((2-Hydroxy-3-methyl-3-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; AKOS032948613; Isogosferol; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((2-hydroxy-3-methyl-3-butenyl)oxy)-; Isogospherol; 9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AC1L3XHE; MEGxp0_000940; 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one; (+)-Isogospherol; 53319-52-1; RTUPRHIHXSAWDP-UHFFFAOYSA-; InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3; SCHEMBL2468855 |
C16H14O5 |
286.28 |
CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O |
|
TCMBANKIN029532 |
(3R,4S)-3-(4-hydroxy-3-methoxy-benzyl)chroman-3,4,7-triol |
(3R,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]chroman-3,4,7-triol; (3R,4S)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]chroman-3,4,7-triol |
|
318.35 |
|
|
TCMBANKIN029537 |
N-Methyl-L-phenylalanine hydrochloride |
02452_FLUKA |
C10H13NO2 |
179.22 |
CNC(CC1=CC=CC=C1)C(=O)O.Cl |
|
TCMBANKIN029575 |
sessilifoliamide A |
|
C17H25NO4 |
307.4 g/mol |
CCC1C2C3CCC(=O)N3CCCC2OC14CC(C(=O)O4)C |
|
TCMBANKIN029686 |
Armepavine |
TimTec1_005225; AC1LE4QO; CHEMBL1186477; armepavine; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; UNII-8A0GW472W3 component ZBKFZIUKXTWQTP-KRWDZBQOSA-N; 14400-96-5; LS-193195; ZINC44853; Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-, (S)-; UNII-28W0AOI5PG; 524-20-9; Phenol, 4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-; (+)-Armepavine; 1alphaH-Armepavine; Armepavine, (+)-; STOCK1N-04340; L-(+)-Armepavine; 28W0AOI5PG; 4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]methyl]phenol; C09342; S-(+)-Armepavine; 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
C19H23NO3 |
313.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
|
TCMBANKIN029706 |
Sexangularetin |
AK554337; 8-methoxykaempferol; ZINC5998554; SCHEMBL1608916; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromone; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one; LMPK12113150; AC1NQYX4; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one; BG01606211; 571-74-4; AKOS030530369; DTXSID00205715; 3,5,7,4'-tetrahydroxy-8-methoxyflavone; Herbacetin 8-methyl ether; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-chromenone; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromen-4-one; MolPort-039-338-723; CHEBI:9131; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-chromen-4-one; C10185; 8-Methylherbacetin; CTK1H0773; sexangularetin |
C16H12O7 |
316.26 |
COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O |
|
TCMBANKIN029775 |
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril |
4,8-dimethoxy-3-(3-methyl-2-oxo-but-3-enyl)-1H-quinolin-2-one; 4,8-dimethoxy-3-(3-methyl-2-oxobut-3-enyl)-1H-quinolin-2-one |
|
287.34 |
|
|
TCMBANKIN029800 |
Methylbenzylideneacetone |
EINECS 217-599-1; (E)-3-methyl-4-phenylbut-3-en-2-one; alpha-Methyl-alpha-benzalacetone; NSC 46888; 1-Methyl-1-benzylidene-acetone; 3-METHYL-4-PHENYL-3-BUTEN-2-ONE; 42968-14-9; (E)-3-methyl-4-phenyl-but-3-en-2-one; Methyl alpha-methylstyryl ketone; BRN 0774487; 2-07-00-00298 (Beilstein Handbook Reference); 4-Phenyl-3-methyl-3-buten-2-one; 3-methyl-4-phenylbut-3-en-2-one; Benzylidene methyl ethyl ketone; 3-Benzylidene-2-butenone; 3-methyl-4-phenyl-but-3-en-2-one; FEMA No. 2734; NSC167115 |
C11H12O |
160.21 |
CC(=CC1=CC=CC=C1)C(=O)C |
|
TCMBANKIN029807 |
magnofl,orinea |
|
|
356.48 |
|
|
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 |
|
TCMBANKIN029853 |
(S)-2-Aminobutanoate |
(S)-2-Aminobutanoic acid; (2S)-2-aminobutanoic acid; L-(+)-2-aminobutyric acid; CHEBI:35619; L-2-Aminobuttersaeure; (S)-2-Aminobutyric acid; Butanoic acid, 2-amino-, (2S)-; L-alpha-Aminobutyrate; EINECS 216-083-3; A1879_SIGMA; L-alpha-Aminobutyric acid; Butanoic acid, 2-amino-, (S)- (9CI); (2S)-2-aminobutyric acid; A2536_SIGMA; NSC 97060; LMFA01100034; Butyric acid, 2-amino-, L- (8CI); 2S-amino-butanoic acid; nchembio856-comp2; C02356; (S)-2-Amino-butyric acid; (-)-2-Aminobutyric acid; L-alpha-Amino-n-butyric acid |
C4H9NO2 |
103.12 |
CCC(C(=O)O)N |
|
TCMBANKIN029879 |
Cavidine |
32728-75-9; 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine |
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
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 |
|
|
TCMBANKIN029931 |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one |
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-chromanone |
C21H22O5 |
354.4 |
|
|
TCMBANKIN029932 |
Caeruloside C_qt |
|
|
388.41 |
|
|
TCMBANKIN029934 |
N6-(2-Isopentenyl)adenine |
Oprea1_038329; D5912_SIGMA; STOCK1N-11856; 3-(3-methylbut-2-enyl)purin-6-amine; 3-(3-methylbut-2-enyl)-6-purinamine; ZINC00002209; MEGxp0_001772; 2IP; ACon1_002114; D7674_SIGMA; D7660_SIGMA; [3-(3-methylbut-2-enyl)purin-6-yl]amine |
C10H13N5 |
203.24 g/mol |
CC(=CCNC1=NC=NC2=C1NC=N2)C |
|
TCMBANKIN029964 |
methoxychelidonine |
|
C20H15NO6 |
365.3 g/mol |
COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2 |
|
TCMBANKIN029969 |
7beta-[3-ethyl-cis-crotonoyloxy]-5,6-dehydro-3,14-dehydro-Z-notonipetralactone |
|
|
370.58 |
|
|
TCMBANKIN029983 |
tetrahydroprotopapaverine |
|
C19H23NO4 |
329.39 |
|
|
TCMBANKIN029987 |
Daturameteloside I |
|
|
636.86 |
|
|
TCMBANKIN030007 |
1,3-dimethoxy-2-o-beta-xylo-pyranosyl-5-o-beta-glucopyranosyl-benzene_qt |
|
|
316.34 |
|
|
TCMBANKIN030012 |
epimedokoreanone A |
|
|
142.12 |
|
|
TCMBANKIN030049 |
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone |
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone |
|
662.7 |
|
|
TCMBANKIN030098 |
davallioside A_qt |
|
|
373.39 |
|
|
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 |
|
TCMBANKIN030112 |
Triptonoterpene |
AC1NT19C; triptonoterpene; 8-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
C20H28O2 |
300.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C)O |
|
TCMBANKIN030153 |
8-hydroxypinoresinal |
|
|
374.42 |
|
|
TCMBANKIN030238 |
isomer-of-magnofl,orine |
|
|
356.48 |
|
|
TCMBANKIN030333 |
anthocyanidin |
|
|
251.22 |
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O |
|
TCMBANKIN030337 |
TBU |
Trimethylcarbinol; 360538_SIAL; tertiary-Butanol; AI3-01288; T-BUTYL ALCOHOL; Butanol tertiaire [French]; c0516; Methyl-2-propanol; 2-Methyl-2-propanol solution; BRN 0906698; Methanol, trimethyl-; 1,1-Dimethylethanol; Trimethyl methanol; InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H; tert-Butyl alcohol; Trimethylmethanol; 442790_SUPELCO; tert-butylalcohol; 2-Methylpropan-2-ol; 2-Methyl-2-propanol; t-Butanol; 449032_ALDRICH; tert-Butanol; 33067_RIEDEL; EINECS 200-889-7; CHEBI:26878; t-Butylalkohol; 308250_ALDRICH; NCI-C55367; B85927_SIAL; Dimethylethanol; 4-01-00-01609 (Beilstein Handbook Reference); TERTIARY-BUTYL ALCOHOL; 19460_FLUKA; t-Butyl hydroxide; tertiary alcohol; <i>tert</i>-Butyl alcohol; 471712_ALDRICH; CCRIS 4755; Caswell No. 124A; tertiary alcohols; 75-65-0; Alcool butylique tertiaire [French]; HSDB 50; t-butyl alchohol; CHEBI:45895; Arconol; Trimethyl carbinol; ZINC01680021; 50621_FLUKA; (CH3)3C-OH; tert-Butanol solution; 2-Propanol, 2-methyl- |
C4H10O |
74.12 |
CC(C)(C)O |
|
TCMBANKIN030358 |
Gingerenone A |
CHEMBL1086746; CHEBI:5352; Y7369; RP07048; 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; BG01645411; 1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; ZINC1531844; 128700-97-0; AC1NQZ22; (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; (E)-Gingerenone A; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, 9CI; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4E)-; gingerenone a; SCHEMBL4740686; 4-Hepten-3-one,1,7-bis(4-hydroxy-3-methoxyphenyl)-,(4E)-; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)-; (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; C10460; AKOS028112802; FWDXZNKYDTXGOT-GQCTYLIASA-N |
C21H24O5 |
356.41 |
COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN030374 |
isostyracin epoxide |
|
C18H16O3 |
280.32 |
|
|
TCMBANKIN030387 |
sophoraflavanone,g |
|
C25H28O6 |
424.49 |
|
|
TCMBANKIN030406 |
Geranyl isobutyrate |
3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (E)-; 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate; FEMA No. 2513; 2-methylpropanoic acid 3,7-dimethylocta-2,6-dienyl ester; 3,7-Dimethyl-2,6-octadien-1-yl isobutyrate, trans-; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-; [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate; trans-3-7-Dimethyl-2,6-octadienyl isobutyrate; PROPIONIC ACID, 2-METHYL-, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E); 2345-26-8; 2-methylpropionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-; Geranyl 2-methylpropanoate; 2-methylpropionic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl isobutyrate (natural); 2-methylpropanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-; AI3-32667; EINECS 219-062-7; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E); 3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate, trans- |
C14H24O2 |
224.34 |
CC(C)C(=O)OCC=C(C)CCC=C(C)C |
|
TCMBANKIN030470 |
isobisdehydrostemoninine |
|
|
385.5 |
|
|
TCMBANKIN030473 |
1,3,5,6-tetrahydroxyxanthone |
AIDS011165; AIDS-011165; 1,3,5,6-Tetrahydroxyxanthen-9-one; 1,3,5,6-tetrahydroxy-9-xanthenone |
C13H8O6 |
260.2 g/mol |
C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN030487 |
atratoglaucoside,a_qt |
|
|
360.49 |
|
|
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 |
|
|
TCMBANKIN030526 |
(3R)-7,2',3'-trihydroxy-4-methoxyisoflavan |
|
|
288.32 |
|
|
TCMBANKIN030546 |
Mukurozioside Ⅰa_qt |
|
C45H78O24 |
1003.09 |
|
|
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 |
|
|
TCMBANKIN030598 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate |
3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbutanoate; 3-methylbutyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate |
C21H24O6 |
372.41 |
|
|
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 |
|
TCMBANKIN030613 |
Dehydrodiconiferyl alcohol 4,gamma'-di-O-beta-D-glucopyanoside_qt |
|
|
358.42 |
|
|
TCMBANKIN030621 |
(2R)-2-amino-3-(4-aminophenyl)propionic acid |
(2R)-2-amino-3-(4-aminophenyl)propanoic acid |
C9H12N2O2 |
180.2 |
C1=CC(=CC=C1CC(C(=O)O)N)N |
|
TCMBANKIN030638 |
Aureusidin |
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one; aureusidin; 2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; 38216-54-5; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-benzofuran-3-one; CHEBI:18149; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one; (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3-benzofuranone; 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one; C08576; (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
C15H10O6 |
286.24 |
C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN030648 |
Nootkatin |
4431-03-2; AIDS228517; nootkatin; 2-hydroxy-6-isopropyl-5-(3-methylbut-2-enyl)-1-cyclohepta-2,4,6-trienone; 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one; NSC403527; AIDS-228517; NSC43339; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-; 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one |
C15H20O2 |
232.32 g/mol |
CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O |
|
TCMBANKIN030711 |
sanguiinh11 |
sanguiin h-11 ; sanguiin h11 |
C41H28O26 |
936.6 g/mol |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
|
TCMBANKIN030813 |
Orixine |
orixine |
C17H21NO6 |
335.4 g/mol |
CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC)O)O |
|
TCMBANKIN030839 |
Rouhuoside |
rouhuoside |
|
824.86 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O |
|
TCMBANKIN030853 |
shiromodiol diacetate |
NSC707626; CHEMBL1980398; 20071-58-3; CHEBI:9136; C09725; DTXSID20543843; Shiromodiol diacetate; NSC-707626; (1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate; [(1S,2R,3R,4S,6E,10S)-2-acetoxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] acetate |
C19H30O5 |
338.44 |
CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C |
|
TCMBANKIN030893 |
(E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-ethoxy]-3-methoxy-phenyl]acrolein |
(E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-phenyl]prop-2-enal; (E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-2-yl]oxy-3-methoxy-phenyl]prop-2-enal |
|
374.42 |
|
|
TCMBANKIN030927 |
7-hydroxy-5,8-dimethoxy-2-phenyl-chromone |
7-hydroxy-5,8-dimethoxy-2-phenylchromen-4-one; 7-hydroxy-5,8-dimethoxy-2-phenyl-4-chromenone; 7-hydroxy-5,8-dimethoxy-2-phenyl-chromen-4-one |
|
298.31 |
|
|
TCMBANKIN030931 |
1,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENE |
1,4,5-trimethyl-5,6-dialin; 1,2-dihydro-1,5,8-trimethylanaphthalene |
C13H16 |
172.27 g/mol |
CC1CC=CC2=C(C=CC(=C12)C)C |
|
TCMBANKIN030938 |
(E)-(4-methylbenzylidene)-(4-phenyltriazol-1-yl)amine |
1-(4-methylphenyl)-N-(4-phenyl-1,2,3-triazol-1-yl)methanimine; 1-(4-methylphenyl)-N-(4-phenyltriazol-1-yl)methanimine; 1H-1,2,3-Triazol-1-amine, N-[(4-methylphenyl)methylene]-4-phenyl-; 1-(4-methylphenyl)-N-(4-phenyl-1-triazolyl)methanimine; N-[(E)-(4-Methylphenyl)methylidene]-4-phenyl-1H-1,2,3-triazol-1-amine |
C16H14N4 |
262.31 g/mol |
CC1=CC=C(C=C1)C=NN2C=C(N=N2)C3=CC=CC=C3 |
|
TCMBANKIN030993 |
8-Hydroxycadalene |
|
C15H18O |
214.3 g/mol |
CC1=C2C(=CC(=CC2=C(C=C1)C(C)C)C)O |
|
TCMBANKIN031009 |
1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
InChI=1/C16H16O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h5-8,17-18H,3-4H2,1-2H |
C16H16O2 |
240.3 g/mol |
CC1=CC2=C(C=C1O)C3=C(CC2)C(=C(C=C3)O)C |
|
TCMBANKIN031058 |
paeonin,a_qt |
|
|
210.25 |
|
|
TCMBANKIN031124 |
10,13-eicosadienoic |
|
|
308.56 |
|
|
TCMBANKIN031136 |
Leucinum |
polyleucine; (S)-2-Amino-4-methylpentanoic acid; Leucine (H-3); 71000-80-1; 2-Amino-4-methylpentanoic acid (L); L-Norvaline, 4-methyl-; Leucina [Latin,Spanish]; NCI46709; L8912_SIGMA; (2S)-2-amino-4-methyl-pentanoic acid; L-Leucine, homopolymer; (14C)Leucine, L-; L-2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid (L); Leucine (USP); (2S)-2-amino-4-methylpentanoic acid; Leucine [USAN:INN]; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s; FEMA No. 3297; Leucina [INN-Spanish]; L-Leucine, labeled with tritium; C00123; Leucine (VAN); l-(14C)Leucine; 21675-61-6; 25248-98-0; L8000_SIGMA; (S)-2-Amino-4-methylvaleric acid; NSC-46709; (3H)Leucine; (2S)-2-amino-4-methyl-valeric acid; L-Leucin; 2-Amino-4-methyl-valeric acid; W329703_ALDRICH; L-alpha-Aminoisocaproic acid; L6914_SIAL; NCIStruc1_001860; NCIStruc2_000010; (S)-2-Amino-4-methyl-pentanoic acid; L-Leuzin; NCGC00013565; 14C-Leucine; L-Leucine (JP15); Poly(L-leucine); (S)-Leucine; Valeric acid, 2-amino-4-methyl-, (S)-; L-Leucine, labeled with carbon-14; CHEBI:15603; NSC 46709; 72706_FLUKA; D00030; AI3-08899; Leucinum [INN-Latin]; 61819_FLUKA; 70-45-1; alpha-aminoisocaproic acid; EINECS 200-522-0; Leucin [German]; 2-Amino-4-methylpentanoic acid, (S)- |
C6H13NO2 |
131.17 g/mol |
CC(C)CC(C(=O)O)N |
|
TCMBANKIN031225 |
guaiene |
beta-guaiene; β-guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN031313 |
Coniferylfcrulate |
|
C20H20O6 |
356.37 |
|
|
TCMBANKIN031346 |
HXD |
Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-hydroxylauric acid; 3-OH-DODECANOATE; LMFA01050251; 3R-hydroxy-dodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; (R)-3-hydroxylauric acid; Dodecanoic acid, 3-hydroxy-, (R)-; CHEBI:43197; D-3-Hydroxydodecanoic acid; (3R)-3-Hydroxydodecanoic acid |
C12H24O3 |
216.32 g/mol |
CCCCCCCCCC(CC(=O)O)O |
|
TCMBANKIN031363 |
dimethyl sulfoxide |
|
C2H6OS |
78.14 g/mol |
CS(=O)C |
|
TCMBANKIN031413 |
PyishiauosideⅠb_qt |
|
C33H56O15 |
692.79 |
|
|
TCMBANKIN031430 |
neodiosbulbin |
|
C19H20O6 |
344.36 |
|
|
TCMBANKIN031439 |
STOCK1N-70051 |
(3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde; (3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; (3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
C29H42O9 |
534.64 |
|
|
TCMBANKIN031505 |
7-hydroxy-3-(2-ketochromen-7-yl)-6-methoxy-coumarin |
7-hydroxy-6-methoxy-3-(2-oxo-7-chromenyl)-2-chromenone; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)chromen-2-one |
C19H12O7 |
352.29 |
|
|
TCMBANKIN031514 |
pachypodol |
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one; 5,4'-dihydroxy-3,7,3'-trimethoxyflavone; LMPK12112754; 5,4'-dihydroxy-3,7,3'-quercetol trimethyl ether; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4-chromenone; KQFUXLQBMQGNRT-UHFFFAOYSA-N; 4',5-Dihydroxy-3,3',7-trimethoxyflavone; NCGC00385819-01!5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one; NSC168805; ZINC5998752; AC1NQYVJ; MolPort-019-936-991; 5,4''-dihydroxy-3,7,3''-trimethoxyflavone; SCHEMBL39280; BDBM50339157; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-; Quercetin 3,7,3'-trimethyl ether; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromone; BG01632785; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one; 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; CHEBI:70007; NSC 168805; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; MCULE-1328222272; 33708-72-4; W1661; 8AG6B2DMP5; NSC-168805; DTXSID80187388; Quercetin 3,3',7-trimethyl ether; AKOS032948402; Ro-090179; C10117; CHEMBL165180; Pachypodol; LS-39611; Ro 09-0179; UNII-8AG6B2DMP5; 3,7,3'-Quercetol trimethyl ether-5,4'-dihydroxy-; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-; 4CN-1355 |
C18H16O7 |
344.3 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN031517 |
isoincensole,oxide |
|
C20H34O3 |
322.48 |
|
|
TCMBANKIN031518 |
7-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
7-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; KBio1_000952; 7-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; IDI1_000952; 7-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; ZINC00519548; SMP1_000120; DivK1c_000952; 7-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; NINDS_000952 |
C15H16O9 |
340.28 |
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
|
TCMBANKIN031525 |
OXYNITIDINE |
ZINC01721695; 2,3-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-13(12h)-one; 548-31-2; oxynitidine; ZINC1721695; 6-oxynitidine; DTXSID40203275; CHEMBL488611; NSC 135066; AC1L3YUI; AC1Q6PAY; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one; NSC135066; NSC-135066; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 2,3-dimethoxy-12-methyl-; 2,3-Dimethoxy-12-methyl-12H-[1,3]dioxolo-[4',5':4,5]benzo[1,2-c]phenanthridin-13-one; CTK1H1768; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14,16,18-OCTAEN-20-ONE |
C21H17NO5 |
363.36 |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC |
|
TCMBANKIN031529 |
119736-65-1 |
(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[4,3-g][1,3]benzodioxol-8-ol |
C20H19NO6 |
369.4 g/mol |
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3 |
|
TCMBANKIN031553 |
didehydroprotostemonine |
bisdehydroprotostemonine |
C23H27NO6 |
413.46 |
CC1CC(OC1=O)C2=CC=C3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C |
|
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 |
|
|
TCMBANKIN031609 |
(E)-9-Isopropyl-6-methyl-5,9-decadiene-2-one |
(5E)-6,10-DIMETHYL-9-METHYLIDENEUNDEC-5-EN-2-ONE; AC1NSX49; LMPR0103030001; 6,10-dimethyl-9-methylene-5E-undecen-2-one; (e)-9-isopropyl-6-methyl-5,9-decadiene-2-one; (5E)-9-isopropyl-6-methyl-deca-5,9-dien-2-one; (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one; 6,10-Dimethyl-9-methylene-5-undecene-2-one; 6,10-dimethyl-9-methylene-undec-5E-en-2-one; 64854-44-0; (E)-6,10-dimethyl-9-methylene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methyleneundec-5-en-2-one; (E)-6,10-dimethyl-9-methylidene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one |
C14H24O |
208.34 |
CC(C)C(=C)CCC(=CCCC(=O)C)C |
|
TCMBANKIN031627 |
S-trans-N-methyltetrahydrocolumbamine |
|
|
356.48 |
|
|
TCMBANKIN031688 |
geissoschizinc acid |
|
|
352.47 |
|
|
TCMBANKIN031702 |
M-COUMARIC ACID |
2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-; m-coumaricacid; 3-(3-hydroxyphenyl)acrylic acid; CINNAMIC ACID,3-HYDROXY (TRANS); 2-Propenoic acid, 3-(3-hydroxyphenyl)-; 588-30-7; NSC50308; 3-(3-hydroxyphenyl)prop-2-enoic acid; (2E)-3-(3-hydroxyphenyl)acrylic acid; NSC 50308; 3-Coumaric acid; (E)-3-(3-hydroxyphenyl)acrylic acid; Cinnamic acid, m-hydroxy-; (E)-3-(3-Hydroxyphenyl)-2-propenoic acid; C12621; H23007_ALDRICH; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid; 3-Hydroxycinnamic acid; 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-; trans-3-Hydroxycinnamic acid; EINECS 209-615-0; m-Hydroxycinnamic acid; trans-3-Hydroxycinnamate; NSC 28956; 28180_FLUKA; NSC28956; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12; m-coumaric acid; AI3-32389; 2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI) |
C9H8O3 |
164.16 |
C1=CC(=CC(=C1)O)C=CC(=O)O |
|
TCMBANKIN031854 |
(E)-7-Hydroxy-1,7-bis-(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione |
|
|
386.43 |
|
|
TCMBANKIN031893 |
Methyl undecenate |
undec-10-enoic acid methyl ester; Methyl undec-10-enoate; 25339-67-7; NSC 1273; 10-Undecenoic acid, methyl ester; Methyl undecenoate; Methyl 10-undecenate; NSC1273; 10-Undecenoic acid methyl ester; ST5409672; 111-81-9; W425301_ALDRICH; AI3-00647; Undecenoic acid, methyl ester; NCGC00166231-01; Methyl 10-undecenoate; ZINC01591830; EINECS 203-910-8; Undecylenic acid methyl ester; Undecylenic acid, methyl ester; U8502_SIGMA; 115126_ALDRICH |
C12H22O2 |
198.3 |
COC(=O)CCCCCCCCC=C |
|
TCMBANKIN031903 |
soyasponin I |
|
C48H78O18 |
943.12 |
|
|
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 |
|
TCMBANKIN031925 |
dichotomide,i |
|
|
339.38 |
|
|
TCMBANKIN031931 |
2,3-dihydropyrrolo,[2,1-b],quinazolin-9(1h)-one |
|
|
186.23 |
|
|
TCMBANKIN031942 |
questinol |
1,6-Dihydroxy-3-hydroxymethyl-8-methoxyanthraquinone; 35688-09-6; omega-Hydroxymethylemodin; DTXSID50189192; Questinol_120239; Questinol; 9,10-Anthracenedione, 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-; 1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione; SCHEMBL16226232; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-dihydroanthracene-9,10-dione; CHEBI:81349; C17811; AC1L3VJY; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione; 1-Hydroxy-3-(hydroxymethyl)-6-hydroxy-8-methoxy-9,10-anthraquinone; 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxy-anthracene-9,10-dione; 1,6-dihydroxy-8-methoxy-3-methylol-9,10-anthraquinone |
C16H12O6 |
300.26 g/mol |
COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CO)O |
|
TCMBANKIN031943 |
methylrosmarinate |
methyl rosmarinate |
C19H18O8 |
374.34 |
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
|
TCMBANKIN031973 |
Schizonepetoside B |
schizonepetoside b |
C16H26O7 |
330.37 g/mol |
CC1CCC(C(=O)C1)C2(COC3C(O2)C(C(C(O3)CO)O)O)C |
|
TCMBANKIN031990 |
Spallidamine |
spallidamine |
C22H17NO6 |
391.37 |
|
|
TCMBANKIN031995 |
andrographolide-19-β-D-glucoside_qt |
|
|
350.5 |
|
|
TCMBANKIN032021 |
sessilifoliamide I |
|
C22H31NO6 |
405.5 g/mol |
CCC1C2C(C(C(=O)O2)C)C3(C14CCCCN(C4=O)C(C3)C5CC(C(=O)O5)C)O |
|
TCMBANKIN032054 |
(E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one |
|
|
340.4 |
|
|
TCMBANKIN032077 |
Erythroculine |
erythroculine; AC1NSV8C; methyl 2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate |
C20H25NO4 |
343.42 |
COC1CC=C2CCN3C2(C1)C4=C(CC3)C=C(C(=C4)C(=O)OC)OC |
|
TCMBANKIN032079 |
myricetin-3-o-glucopyranoside_qt |
|
|
318.25 |
|
|
TCMBANKIN032114 |
11-Hydroxynoracronycine |
6,11-dihydroxy-3,3,12-trimethyl-7-pyrano[6,5-c]acridinone; 27067-70-5; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl- (8CI)(9CI); 6,11-dihydroxy-3,3,12-trimethyl-pyrano[6,5-c]acridin-7-one; AIDS-161807; 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl-; Alkaloid A, from Atalantia ceylanica; 11-Hydroxy-O-demethylacronine; NSC162687; AIDS161807; Alkaloid A from Atalantia ceylanica; 3,12-Dihydro-6,11-dihydroxy-3,312-trimethyl-7H-pyrano(2,3-c)acridin-7-one; NSC 162687; 6,11-dihydroxy-3,3,12-trimethylpyrano[6,5-c]acridin-7-one |
C19H17NO4 |
323.3 g/mol |
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C |
|
TCMBANKIN032174 |
Isoeleutherol glucoside |
isoeleutherol glucoside |
C20H22O9 |
406.42 |
CC1C2=C(C=C3C=CC=C(C3=C2OC)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O1 |
|
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 |
|
TCMBANKIN032197 |
ethyl brevifolincarboxylate |
|
C15H12O8 |
320.25 |
CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O |
|
TCMBANKIN032207 |
(E,E,E)-11-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2,4,10-undecatrienenamide |
2,4,10-Undecatrienenamide, 11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E,E,E)-; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-isobutylundeca-2,4,6,10-tetraenamide; 54794-74-0; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,6,10-tetraenamide; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-isobutyl-undeca-2,4,6,10-tetraenamide |
C22H29NO3 |
355.47 |
CC(C)CNC(=O)C=CC=CC=CCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN032223 |
Artelin |
|
C15H18O5 |
278.3 |
|
|
TCMBANKIN032302 |
dichotomide,ii |
|
|
339.38 |
|
|
TCMBANKIN032316 |
acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-5H-furan-3-yl)ethyl]-1-decalinyl] ester |
[(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-5H-furan-3-yl)ethyl]decalin-1-yl] acetate; acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-4-[2-(2-keto-5H-furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-decalin-1-yl] ester; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-5H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(2-oxo-5H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] ethanoate |
|
378.56 |
|
|
TCMBANKIN032381 |
Sylvestroside III_qt |
|
|
378.51 |
|
|
TCMBANKIN032410 |
Paniculide B |
paniculide b |
C15H20O5 |
280.32 |
CC(=CCCC1=C2C(CC3(C(C2O)O3)CO)OC1=O)C |
|
TCMBANKIN032470 |
Bianfugedine |
bianfugedine; 96681-51-5; 2-Methoxy-12H-benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one; 5,6-Methylenedioxy-9-methoxy-7H-dibenzo(de,h)quinoline-7-one; 12H-Benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one, 2-methoxy- |
C18H11NO4 |
305.28 |
COC1=CC2=C(C=C1)C3=NC=CC4=CC5=C(C(=C43)C2=O)OCO5 |
|
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 |
|
TCMBANKIN032552 |
N,O,O-trimethylsparsiflorine |
|
C20H23NO3 |
325.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)OC)OC)OC |
|
TCMBANKIN032554 |
Angustidine |
Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 8,13-dihydro-2-methyl-; DTXSID90193213; angustidine; AC1MJ37J; 40217-50-3; Angustidin |
C19H15N3O |
301.34 |
CC1=CC2=C(C=N1)C(=O)N3CCC4=C(C3=C2)NC5=CC=CC=C45 |
|
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 |
|
TCMBANKIN032596 |
aristolactam-N-β-D-glucopyanoside_qt |
|
|
309.29 |
|
|
TCMBANKIN032659 |
(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol |
AO-079/15259072; MLS001178744; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-ol; ZINC03197613; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-chromanol; SMR000477468 |
C19H22O6 |
346.37 |
COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC |
|
TCMBANKIN032683 |
norsanguinarine |
(1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine; Sanguinarine, 13-demethyl-; 522-30-5; 5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0;{2,10}.0;{4,8}.0;{14,22}.0;{17,21}]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene; NSC-143762; NSC 143762; 13-Demethyl-Sanguinarine; AKOS030535106; [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine; 7,8-Bis(methylenedioxy)benzo[c]phenanthridine; 5157-23-3; AC1L3Z0I; AK560647; MolPort-039-338-524; 1,3-Dioxolo[i][1,3]dioxolo[4,5]benzo[1,2-c]phenanthridine; SCHEMBL16125304; ZINC1727527; [1,6-c]-1,3-dioxolo[4,5-i]phenanthridine; [1,3]Dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridine; NSC143762; 1,3-Dioxolo(i)(1,3)dioxolo(4,5)benzo(1,2-c)phenanthridine; 1,3]dioxolo[4,5]benzo[1,2-c]phenanthridine; AC1Q4WKG; CNXVDVMAYXLWPD-UHFFFAOYSA-N; Norsanguinarine |
C19H11NO4 |
317.29 |
C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6 |
|
TCMBANKIN032684 |
diversoside_qt |
|
|
332.43 |
|
|
TCMBANKIN032687 |
sulfur |
|
S |
32.07 g/mol |
[S] |
|
TCMBANKIN032689 |
Eseramine |
UNII-PE4VD738WT; AC1MJ1L1; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester; BDBM50022773; [(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate; 6091-57-2; (3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide; C09170; CHEMBL77799; eseramine; PE4VD738WT; Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)-; Methyl-carbamic acid 3a,8-dimethyl-1-methylcarbamoyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester; [(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate |
C16H22N4O3 |
318.37 |
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC |
|
TCMBANKIN032706 |
picriside B_qt |
|
C54H94N22O16 |
1307.46 |
|
|
TCMBANKIN032734 |
Picroside II_qt |
|
C23H28O13 |
512.46 |
|
|
TCMBANKIN032898 |
licochalcone G |
|
C21H22O5 |
354.4 g/mol |
CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)OC)O |
|
TCMBANKIN032936 |
l-undecylenyl-3,4-methylenedioxybenzene |
|
|
274.44 |
|
|
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-] |
|
TCMBANKIN032944 |
N-methyllaurotetanine |
n-methyllaurotetanine |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC |
|
TCMBANKIN032963 |
dihydrocostus lactone |
dihydrocostuslactone |
|
234.37 |
|
|
TCMBANKIN032964 |
alpha-methyl-n-butylshikonin |
|
C21H28O5 |
360.4 g/mol |
CCCCC1(C(C(=O)C2=C(C=CC(=C2C1=O)O)O)C)C(CC=C(C)C)O |
|
TCMBANKIN032982 |
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid |
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylic acid; (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid |
|
358.32 |
|
|
TCMBANKIN032984 |
1,8-dihydroxy-3-methoxy-2,6-dimethyl-9,10-anthraquinone |
1,8-dihydroxy-3-methoxy-2,6-dimethylanthracene-9,10-dione; 1,8-dihydroxy-3-methoxy-2,6-dimethyl-anthracene-9,10-dione |
|
298.31 |
|
|
TCMBANKIN032991 |
(-)-(7R,8S)-Dihydrodehydrodiconiferyl alcohol |
4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol; AIDS-227001; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol; 4-[(2R,3S)-5-(3-hydroxypropyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol; (-)-5-Benzofuranpropanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, (2R,3S)-; AIDS227001; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol |
C20H24O6 |
360.4 |
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO |
|
TCMBANKIN033042 |
kakkatin |
|
C16H12O5 |
284.26 |
COC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN033093 |
dihydroisotanshinoneⅠ |
|
278.32 |
20.912695 |
|
|
TCMBANKIN033153 |
3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin |
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(2-methylbut-3-en-2-yl)chromen-2-one; 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-chromen-2-one; 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-2-chromenone |
|
368.41 |
|
|
TCMBANKIN033161 |
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene |
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxy-benzene |
|
416.56 |
|
|
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 |
|
TCMBANKIN033218 |
Eurycarpin A |
eurycarpin a; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-chromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-chromone; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-4-chromenone |
C20H18O5 |
338.4 g/mol |
CC(=CCC1=C(C=CC(=C1O)C2=COC3=C(C2=O)C=CC(=C3)O)O)C |
|
TCMBANKIN033221 |
3'-O-Methylorobol |
5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromone; 3'-o-methylorobol |
C16H12O6 |
300.26 |
COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
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 |
|
TCMBANKIN033262 |
7beta-angeloyloxyoplopa-3(14)Z,8(10)-dien-2-one |
|
|
316.48 |
|
|
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 |
|
TCMBANKIN033379 |
(E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone |
(E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone |
|
297.33 |
|
|
TCMBANKIN033428 |
1-hydroxy-2, 3, 5-trimethoxyxanthone |
1-Htmx; 1-hydroxy-2,3,5-trimethoxy-9-xanthenone; 1-hydroxy-2,3,5-trimethoxyxanthen-9-one; 1-Hydroxy-2,3,5-trimethoxyxanthene; 9H-Xanthen-9-one, 1-hydroxy-2,3,5-trimethoxy-; 1-Hydroxy-2,3,5-trimethoxyxanthone; 1-hydroxy-2,3,5-trimethoxyxanthone; 22804-49-5; 1-hydroxy-2,3,5-trimethoxy-xanthen-9-one; Xanthone, 1-hydroxy-2,3,5-trimethoxy-; 1-hydroxy-2,3,5-trimethoxy-xanthone; 1-Hydroxy-2,3,5-trimethoxy xanthone |
C16H14O6 |
302.28 |
COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2)O)OC)OC |
|
TCMBANKIN033430 |
7-hydroxy-8-methyl-4-vinyl-9,10-dihydrophenanthrene-1-carboxylic acid |
4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-1-carboxylic acid |
|
278.32 |
|
|
TCMBANKIN033474 |
beta-D-Ribofuranoside, xanthine-9 |
AI3-52693; EINECS 205-679-9; ZINC01561970; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione; SBB006470; CHEBI:18107; 5968-90-1; 1H-Purine-2,6-dione, 3,9-dihydro-9-beta-D-ribofuranosyl-; 9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione; C01762; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purine-2,6-dione; NSC 18930 |
C10H12N4O6 |
284.23 g/mol |
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
|
TCMBANKIN033482 |
Quinicine |
quinicine |
C20H24N2O2 |
324.4 g/mol |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN033516 |
18,19-dihydroxy-5alpha,10beta-neo-cleroda-diene-butenylhydroxyoate |
|
|
334.5 |
|
|
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 |
|
TCMBANKIN033565 |
Flavidin |
5H-Phenanthro(4,5-bcd)pyran-2,7-diol, 9,10-dihydro-; C10258; flavidin; 83924-98-5 |
C15H12O3 |
240.25 |
C1CC2=C3C(=CC(=C2)O)OCC4=CC(=CC1=C43)O |
|
TCMBANKIN033588 |
Methyl octadeca-8,11-dienoate |
methyl octadeca-8,11-dienoate; Methyl (8E,11E)-8,11-octadecadienoate; methyl (8E,11E)-octadeca-8,11-dienoate; 8,11-Octadecadienoic acid, methyl ester; (8E,11E)-octadeca-8,11-dienoic acid methyl ester |
C19H34O2 |
294.47 |
CCCCCCC=CCC=CCCCCCCC(=O)OC |
|
TCMBANKIN033630 |
(-)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
400.51 |
|
|
TCMBANKIN033653 |
cimicifugic acid |
|
C21H20O11 |
448.4 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O |
|
TCMBANKIN033656 |
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one |
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-6-chromenyl)prop-2-en-1-one |
|
322.38 |
|
|
TCMBANKIN033678 |
caffeine |
NCGC00015208-02; DHCplus; KBio2_001781; W222402_ALDRICH; NINDS_000730; EINECS 200-362-1; Spectrum5_000423; BSPBio_001921; KBio1_000730; ACon1_000085; Probes1_000150; Quick-Pep; D00528; AIDS001649; WLN: T56 BN DN FNVNVJ B1 F1 H1; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; SK 65 Compound; NCGC00090699-07; KBio2_006917; Stim; Caffeina [Italian]; 1,3,7-trimethylpurine-2,6-dione; PDSP2_001219; C7731_SIAL; KBioSS_001781; Caffein; Miudol; Nix Nap; nchembio774-comp2; Nodaca; Caffeine (natural); Cafeina; CFF; Caffeine solution; 7-methyltheophylline; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein); Bio1_000962; TNP00310; 75035_FLUKA; 1,3,7-Trimethyl-2,6-dioxopurine; NCGC00090699-08; Caffeine, anhydrous; Koffein [German]; C1778_SIAL; Dexitac; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Durvitan; PDSP2_001000; MLS001066409; Eldiatric C; SPECTRUM1500155; cafeine; Koffein; NCIOpen2_008255; BRN 0017705; 71701-02-5; C8960_SIAL; Bio1_001451; MLS001056714; Caffeine (USP); caffenium; SPBio_001222; 27602_FLUKA; 95789-13-2; Spectrum3_000321; Cafecon; Thein; NCGC00015208-01; Coffeinum; 1-methyltheobromine; Mettler Toledo Calibration substance ME 18872, Caffeine; Kofein [Czech]; NSC 5036; Spectrum_001301; NCGC00090699-04; Bayer Select Headache Pain; Theine; Guaranine; KBio3_001141; NSC5036; 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; Spectrum2_001261; EU-0100228; Probes2_000128; MEGxp0_001350; Anhydrous caffeine (TN); 1,3,7-Trimethylxanthine; 58-08-2; Caffedrine; C07481; No-Doz; PDSP1_001016; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H; Phensal; Refresh'n; KBio2_004349; AIDS-001649; Tri-Aqua; Lopac0_000228; ZINC00001084; teina; Methyltheobromine; IDI1_000730; Caffeine, synthetic; 5-26-13-00558 (Beilstein); LS-187843; Theophylline Me; 5-26-13-00558 (Beilstein Handbook Reference); Coffein [German]; C6035_SIGMA; HSDB 36; DivK1c_000730; SDCCGMLS-0064595.P001; KBioGR_002325; NCI-C02733; SBB006474; Spectrum4_001782; Coffeine; Anhydrous caffeine; SMR000326667; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Theobromine, 1-methyl-; Theophylline, 7-methyl; MolMap_000054; NCGC00090699-01; Theobromine Me; LS-237; Cafamil; Cafipel; c1094; AI3-20154; SDCCGMLS-0064595.P002; Xanthine, 1,3,7-trimethyl; Bio1_000473; Mateina; Methylxanthine theophylline; FEMA No. 2224; CHEBI:27732; Tirend; component of P-A-C Compound; Caffeine; Organex; NCGC00090699-03; component of Cafergot; CCRIS 1314; Methyltheobromide; Lopac-C-0750; 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI); Alert-Pep; C0750_SIAL; PDSP1_001235; Anhydrous caffeine (JP15); Vivarin; Caffeine [BAN:JAN]; Coffein; Caffine |
C8H10N4O2 |
194.19 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
|
TCMBANKIN033679 |
Glepidotin B |
87440-56-0; C09753; glepidotin b; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromanone; (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchroman-4-one |
C20H20O5 |
340.37 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=CC=C3)O)C |
|
TCMBANKIN033696 |
7-methoxy-5,4'-dihydroxyflavanonol |
|
|
302.3 |
|
|
TCMBANKIN033702 |
citric acid |
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 |
C6H8O7 |
192.12 |
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|
TCMBANKIN033723 |
Deoxyandrographolide |
4-[2-[(4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one; BG01310040; AC-20219; DTXSID60616868; 79233-15-1; ANDROGRAPHOLIDE, DEOXY-; deoxyandrographolide; ZINC21992845; 9342AF; MolPort-005-938-522; AKOS015965180; 3-{2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5H)-one; 3-{2-[(4AS,5R,6R,8AR)-6-HYDROXY-5-(HYDROXYMETHYL)-2,5,8A-TRIMETHYL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL]ETHYL}-5H-FURAN-2-ONE; AN-36619; CS-3655; AK546859; HY-N0857; 14-deoxyandrographolide(14-DAP) |
C20H30O4 |
334.45 |
CC1=C(C2(CCC(C(C2CC1)(C)CO)O)C)CCC3=CCOC3=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 |
|
TCMBANKIN033885 |
Chrysin-5-methylether |
7-hydroxy-5-methoxy-2-phenyl-chromen-4-one; 33554-47-1; 7-hydroxy-5-methoxy-2-phenyl-chromone; 7-hydroxy-5-methoxy-2-phenylchromen-4-one; 7-hydroxy-5-methoxy-2-phenyl-4-chromenone |
C16H12O4 |
268.26 |
COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O |
|
TCMBANKIN033905 |
Ermanin |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-; MEGxp0_000250; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one; ZINC01664047; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-chromenone; AIDS-001405; 5,7-Dihydroxy-3,4'-dimethoxyflavone; 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromone; AIDS001405; 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; Kaempferol-3,4'-dimethylether; NSC31882; 20869-95-8; Chrysin, 3,4'-dimethoxy-; EINECS 244-093-8; NCI60_002742; NSC 31882; 3,4'-Dimethoxychrysin |
C17H14O6 |
314.29 |
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC |
|
TCMBANKIN033976 |
(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one |
157414-03-4 |
C25H26O4 |
390.47 |
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C |
|
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 |
|
|
TCMBANKIN034198 |
acetic acid |
AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 |
C5H10O3 |
118.13 |
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
|
TCMBANKIN034206 |
4',5',7-trimethyl-3-methoxyflavone |
|
|
294.37 |
|
|
TCMBANKIN034284 |
dan-shexinkum a |
|
|
296.34 |
|
|
TCMBANKIN034292 |
darendoside B_qt |
|
C21H32O12 |
476.47 |
|
|
TCMBANKIN034301 |
o-Isovalerylcolum bianetin |
AC1NSX6O; HMS3328P11; o-isovalerylcolum bianetin; MCULE-8769481672; NP-015797; 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbutanoate |
C19H22O5 |
330.4 g/mol |
CC(C)CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN034324 |
kanzonols W |
|
|
336.36 |
|
|
TCMBANKIN034336 |
sanggenone F |
|
C20H18O6 |
354.35 |
|
|
TCMBANKIN034339 |
Thc-9-cooh |
9-Carboxy-thc; 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 6abeta,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-; 23978-85-0; 9-Carboxy-delta(9)-thc; delta(9)-Tetrahydrocannabinolic acid; (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid; (6aR,10aR)-3-amyl-1-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid; 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)- |
C22H30O4 |
358.47 |
CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O |
|
TCMBANKIN034394 |
alizarin-1-methyl ether |
alizarin-1-methylether; alizarin 1-methylether |
C15H10O5 |
270.24 g/mol |
COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O |
|
TCMBANKIN034546 |
(-)-Phillygenin |
|
C21H24O6 |
372.41 |
|
|
TCMBANKIN034572 |
Bilobanol |
bilobanol |
|
234.37 |
CC1=CCC(CC1O)C2=COC(=C2)CC(C)C |
|
TCMBANKIN034575 |
Inermin |
C16229; (+)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, cis-(+-)-; 38822-02-5; 6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol; 19908-48-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
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 |
|
TCMBANKIN034667 |
(-)-Tabernemontanine |
|
C21H26N2O3 |
354.44 |
CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
|
TCMBANKIN034759 |
Bifendate |
AIDS-057851; Dimethyl 7,7'-dimethoxy-(4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylate; 2,2'-Dimethoxycarbonyl-4,4'-dimethoxy-5,6,5',6'-bismethylenedioxybiphenyl; 7,7'-Dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester; 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylic acid methyl ester; BRN 5461320; 4-(5-carbomethoxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid methyl ester; (4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, dimethyl ester; CCRIS 7767; Dimethyl 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)biphenyl-2,2'-dicarboxylate; 73536-69-3; Dimethyl-4,4'-dimethoxyl-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate; methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate; AIDS057851 |
C20H18O10 |
418.35 |
COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2 |
|
TCMBANKIN034768 |
isocorynantheic acid |
|
|
352.47 |
|
|
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 |
|
|
TCMBANKIN034837 |
corycavine |
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one; BG01348418; NSC123402; BRD-A25851298-001-01-3; NSC 123402; C-54667; WOLWLEQYUFDNTA-UHFFFAOYSA-N; 521-87-9; NCI60_000225; AC1Q6P90; Ambap521-85-7; 7,16-Dimethyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (R)-; Corycavamine, (+/-)-; 2,15-DIMETHYL-7,9,19,21-TETRAOXA-15-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(2)]TETRACOSA-1(24),4,6(10),11,17,22-HEXAEN-3-ONE; AKOS000277068; ACon1_002262; ACM521857; NSC-123402; CORYCAVINE; Dibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-; AC1L5J6U; 7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one # |
C21H21NO5 |
367.4 |
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5 |
|
TCMBANKIN034855 |
[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate |
acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ester; [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ethanoate; acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)-2-oxiranyl]methyl ester |
C12H20O3 |
212.29 |
|
|
TCMBANKIN034864 |
(+)(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxy-phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester |
|
|
402.48 |
|
|
TCMBANKIN034909 |
dihydrocurcumin |
|
C21H22O6 |
370.4 g/mol |
COC1=C(C=CC(=C1)CCC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN034931 |
Narcotoline |
3-(4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one; 6-Methyl-4-hydroxy-5,6,7,8-tetrahydro-5-(3-oxo-4,5-dimethoxy-1,3-dihydroisobenzofuran-1-yl)-1,3-dioxolo[4,5-g]isoquinoline; AC1MRPAC; narcotoline |
C21H21NO7 |
399.39 |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
|
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 |
|
TCMBANKIN034982 |
Myricanone |
Tricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one, 3,15-dihydroxy-16,17-dimethoxy-; myricanone; 32492-74-3 |
C21H24O5 |
356.41 |
COC1=C2C=C(CCCCC(=O)CCC3=CC2=C(C=C3)O)C(=C1OC)O |
|
TCMBANKIN035022 |
Methoxyacetic acid,2-tetradecyl ester |
|
C17H34O3 |
286.4 g/mol |
CCCCCCCCCCCCC(C)OC(=O)COC |
|
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 |
|
TCMBANKIN035115 |
cubebininolide |
|
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC |
|
TCMBANKIN035148 |
Dihydrotricetin |
(2S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one; Pentahydroxyflavanone; C05911; (2S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromanone |
C21H22O12 |
466.39 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O)O)O |
|
TCMBANKIN035221 |
4-((1-ethoxy-2-hydroxy)ethyl)phenol |
|
|
182.24 |
|
|
TCMBANKIN035262 |
1-hydroxy-2-hydroxymethy-3-methoxyanthraquinine |
|
|
300.28 |
|
|
TCMBANKIN035273 |
coriandrone A |
|
C16H20O5 |
292.33 |
CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)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 |
|
TCMBANKIN035425 |
andrographidine F_qt |
|
|
374.37 |
|
|
TCMBANKIN035428 |
Lachnophyllol acetate |
lachnophyllol acetate; [(E)-dec-2-en-4,6-diynyl] ethanoate; [(E)-dec-2-en-4,6-diynyl] acetate; (E)-1-Acetoxy-2-decene-4,6-diyne; 2-Decene-4,6-diyne-1-ol acetate; acetic acid [(E)-dec-2-en-4,6-diynyl] ester; 24486-26-8; AC1NSXGJ |
C12H14O2 |
190.24 g/mol |
CCCC#CC#CC=CCOC(=O)C |
|
TCMBANKIN035483 |
(1R)-6,7-dimethoxy-1-(4-methoxybenzyl)-2-methyl-3,4-dihydro-1H-isoquinoline |
(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline; Oprea1_382771 |
C20H25NO3 |
327.42 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC |
|
TCMBANKIN035484 |
(2R,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
(2R,3S,5S)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol; (2R,3S,5S)-5-(6-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-ol; (2R,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol |
C10H13N5O3 |
251.24 |
|
|
TCMBANKIN035493 |
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-5-yl]acrolein |
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal; (E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enal |
|
356.4 |
|
|
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 |
|
TCMBANKIN035549 |
8-Octadecenoic acid |
2197-55-9; trans-8-elaidic acid; (E)-octadec-8-enoic acid; 8E-octadecenoic acid; LMFA01030071; trans-8-octadecenoic acid |
C18H34O2 |
282.46 |
CCCCCCCCCC=CCCCCCCC(=O)O |
|
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 |
|
|
TCMBANKIN035659 |
sessilifoliamide E |
|
C22H31NO6 |
405.5 g/mol |
CCC1C2C(C(C(=O)O2)C)C3CC(N(C3=O)CCCCC1=O)C4CC(C(=O)O4)C |
|
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 |
|
|
TCMBANKIN035814 |
(7E)-9-hydroxymegastigma-4, 7-dien-3-on-9-O-beta-D-glucopyranoside_qt |
|
|
208.33 |
|
|
TCMBANKIN035845 |
methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate |
(E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
|
366.5 |
|
|
TCMBANKIN035873 |
Boschniakine |
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde; (R)-6,7-dihydro-7-methyl-5H-2-pyrindine-4-carboxaldehyde; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carbaldehyde; CHEBI:3157; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carboxaldehyde; C09915; (R)-6,7-dihydro-7-methyl-5H-2-pyrindinecarboxaldehyde; boschniakine; (7R)-7-methyl-2-pyrindan-4-carbaldehyde; 18070-40-1 |
C10H11NO |
161.2 |
CC1CCC2=C1C=NC=C2C=O |
|
TCMBANKIN035901 |
16-epi-Isositsirikine |
NSC 282700; 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16S,19E)- (8CI); (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-hydroxy-propionic acid methyl ester; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoate; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxy-propanoate; NSC 338932; (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoic acid methyl ester; Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)- (9CI) |
C21H26N2O3 |
354.4 g/mol |
CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN035934 |
Triptonoditerpenic acid |
2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-; AC1L30OA; 8-HYDROXY-7-ISOPROPYL-6-METHOXY-1,4A-DIMETHYL-4,9,10,10A-TETRAHYDRO-3H-PHENANTHRENE-2-CARBOXYLIC ACID; triptonoditerpenicacid; 8-hydroxy-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid; 139953-20-1; triptonoditerpenic acid |
C21H28O4 |
344.44 |
CC1=C(CCC2(C1CCC3=C(C(=C(C=C32)OC)C(C)C)O)C)C(=O)O |
|
TCMBANKIN035943 |
Methyl linolelaidate |
9,12-Octadecadienoic acid, methyl ester, (E,E)-; 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE; 62155_FLUKA; EINECS 219-901-7; Methyl (9E,12E)-9,12-octadecadienoate; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide; 11068-03-4; 2462-85-3; Methyl octadeca-9,12-dienoate; Methyl linoleate hydroperoxide; Methyl (9E,12E)-octadeca-9,12-dienoate; EINECS 219-560-4; AI3-36451; Linolelaidic acid, methyl ester; Methyl trans,trans-9,12-octadecadienoate; L2251_SIGMA; 2566-97-4; (9E,12E)-octadeca-9,12-dienoic acid methyl ester; octadeca-9,12-dienoic acid methyl ester; Methyllinolelaidate; Linolelaidic acid methyl ester |
C19H34O2 |
294.47 |
CCCCCC=CCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN036006 |
1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene |
|
|
272.37 |
|
|
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 |
|
TCMBANKIN036094 |
oxychleidonine |
|
|
367.38 |
|
|
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 |
|
TCMBANKIN036265 |
nonadec-10-enoic acid |
LMFA01030361; (E)-nonadec-10-enoic acid; 10E-nonadecenoic acid |
C19H36O2 |
296.49 |
CCCCCCCCC=CCCCCCCCCC(=O)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 |
|
TCMBANKIN036344 |
Fisetinidol |
KBioSS_002190; KBio3_001413; 3,7,3',4'-Tetrahydroxyflavan; SPBio_000406; BSPBio_001913; Spectrum5_000228; Spectrum4_001574; 490-49-3; DivK1c_006813; Spectrum_001710; Spectrum2_000423; KBio1_001757; KBio2_007326; SPECTRUM210014; SpecPlus_000717; (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,7-diol; C09735; KBio2_002190; KBioGR_002128; Spectrum3_000237; KBio2_004758 |
C15H14O5 |
274.27 |
C1C(C(OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN036352 |
salviolone |
|
C18H20O2 |
268.35 |
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
|
TCMBANKIN036358 |
7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene |
|
|
256.32 |
|
|
TCMBANKIN036395 |
1,8-dimethyl-4-vinyl-9,10-dihydrophenanthrene-2,7-diol |
4-ethenyl-1,8-dimethyl-9,10-dihydrophenanthrene-2,7-diol |
|
266.36 |
|
|
TCMBANKIN036448 |
clemastanin B_qt |
|
C32H44O16 |
684.68 |
|
|
TCMBANKIN036468 |
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one |
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one |
C22H24O11 |
464.42 |
|
|
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 |
|
TCMBANKIN036527 |
Picroside I_qt |
|
C24H28O11 |
492.47 |
|
|
TCMBANKIN036566 |
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione |
1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione |
|
342.42 |
|
|
TCMBANKIN036589 |
7beta-(4-methylsenecioyloxy)oplopa-3(14)E,8(10)-dien-2-one |
|
|
316.48 |
|
|
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 |
|
|
TCMBANKIN036662 |
IPA |
Isopropyl alcohol (manufacturing-strong acid process only); sec-Propyl alcohol; 34965_RIEDEL; i-Propanol [German]; 278475_ALDRICH; 443425_SIAL; CHEBI:17824; Caswell No. 507; Alcool isopropilico; 563935_ALDRICH; Alcosolve 2; EPA Pesticide Chemical Code 047601; Alcool isopropylique; Takineocol; 442369_SUPELCO; c0519; NCGC00090917-01; Isopropyl alcohol [USAN]; Ethyl, 1-hydroxy-1-methyl-; Isopropanol; 92438_FLUKA; EINECS 200-661-7; Combi-schutz; N-Term LC Solvent System B; Avantine; ZINC00901159; 67-63-0; 673773_ALDRICH; sec-propanol; i-Propylalkohol [German]; AIDS-186244; 40279_RIEDEL; Secondary alcohol; 2-Hydroxypropane; BRN 0635639; LS-1565; Alcojel; D00137; Lutosol; 2-Propyl alcohol; 4-01-00-01461 (Beilstein Handbook Reference); Isopropanol (JP15); I9782_SIGMA; 1-Methylethanol; 154970_SIAL; Alcool isopropilico [Italian]; Isopropryl alcohol; 1-Methylethyl alcohol; 8013-70-5; NSC135801; HSDB 116; Isopropyl alcohol (USP); 439207_ALDRICH; 40343_RIEDEL; 34895_RIEDEL; UN1219; CCRIS 2308; WLN: QY1&1; 59309_FLUKA; Spectrar; Alkolave; FEMA No. 2929; I9516_SIGMA; Alcool isopropylique [French]; 2-Propanol : Water 31:69 with 0.1% buffer; i-Propyl alcohol; secondary alcohols; Alcolo; Alcohol, rubbing; Iso-propylalkohol; Isopropenol; Imsol A; 40314_RIEDEL; Iso-propylalkohol [German]; C01845; i-propanol; Arquad DMCB; 1-Hydroxy-1-methylethyl; Lavacol; Sterisol hand disinfectant; NSC 135801; 2-Propanol solution; Isopropyl alcohol; AI3-01636; Visco 1152; 34959_RIEDEL; 40301_RIEDEL; 91237_FLUKA; FEMA Number 2929; Isopropylalkohol; 2-PROPANOL, ISOPROPANOL; IOH; 534021_ALDRICH; Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required); 24137_RIEDEL; i-Propylalkohol; 190764_SIAL; Isopropyl alcohol, rubbing; CHEBI:35681; Rubbing alcohol; Isopropyl alcohol (manufacture strong-acid process); 59304_FLUKA; 34863_SIAL; Isohol; Isopro; I9030_SIGMA; 33539_RIEDEL; ST5214369; 650447_ALDRICH; Hartosol; Avantin; AIDS186244; Isopro (TN); Petrohol; 5131-95-3; 2-Propanol; W292907_ALDRICH; R-CHOH-R'; n-Propan-2-ol; Iso-propyl alcohol; Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]; Dimethylcarbinol; Propan-2-ol; InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H; Alcosolve; Propol; 675431_ALDRICH; 437522_SIAL; 40219_RIEDEL; 109827_ALDRICH |
C3H8O |
60.1 |
CC(C)O |
|
TCMBANKIN036665 |
13-methylpalmatrubine |
|
|
352.44 |
|
|
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 |
|
TCMBANKIN036796 |
puerarin |
8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one; NPI-31G; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; SCHEMBL14329031; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 82435_FLUKA; daidzein 8-C-glucoside; Puerarin; P5555_SIGMA; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 3681-99-0; ANGC-3681-99-0; 8-(beta-D-Glucopyranosyl)-4',7-dihydroxyisoflavone; C10524; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C21H20O9 |
416.378 |
[C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(c(c(O[H])c2[H])c(OC([H])=C(c3c([H])c([H])c(O[H])c([H])c3[H])C4=O)c4c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
|
TCMBANKIN036802 |
ellagic acid |
2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione; 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone; CE0034; 5-19-07-00108 (Beilstein Handbook Reference); AS-12615; ellagic acid ; LTK-20; 133039-73-3; ellagicacid; NE58729; 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione; AIDS002688; Spectrum3_001535; SBB006501; 4,4′,5,5′,6,6′-Hexahydroxydiphenic acid 2,6,2′,6′-dilactone; Llagic acid; BRN 0047549; 2,6,2',6'-dilactone hydrate; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; KBio2_004242; Polyphenolic; NCGC00094975-01; Eleagic acid; MFCD00149494; MolPort-000-705-556; 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; EINECS 207-508-3; NCGC00017245-01; NCI60_003869; Ellagsaeure; Ellagic Acid, Dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; KBio3_002450; MLS-0066664.0001; KBio2_006810; SCHEMBL2639621; Ellagic acid hydrate, 97%, may cont. up to 12% water; Ellagic acid dihydrate; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Spectrum2_000905; Gallogen (astringent); TNP00132; KBioSS_001674; MLS000069632; SMP1_000111; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; BSPBio_002950; Oprea1_032884; C.I. 75270; NSC656272; SPBio_000750; NSC 656272; BCBcMAP01_000154; Elagostasine; I14-61927; NSC 407286; BB_NC-0491; C10788; C.I. 55005; 2,3,7,8-Tetrahydroxy[1]benzopyrano-[5,4,3-cde][1]benzopyran-5,10-dione; Spectrum_001194; Gallogen, astringent; SMR000058244; CHEBI:4775; SPECTRUM1502245; KBio2_001674; KBioGR_001080; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione dihydrate; Acido elagico [INN-Spanish]; BG00667714; 476-66-4; Benzoaric acid; AK186482; SDCCGMLS-0066664.P001; Z1551861526; CCRIS 774; Gallogen (VAN); NSC407286; Ellagic acid [DCF:INN]; [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; CCG-208140; NCGC00094975-02; 4,4′,5,5′,6,6′-Hexahydroxydiphenic Acid 2,6,2′,6′-Dilactone; Spectrum4_000750; Alizarine Yellow; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone; AIDS-002688; AKOS025310087; Acidum ellagicum [INN-Latin]; Lagistase; ZINC00058174; C14H6O8.2H2O; Spectrum5_000959; E2250_SIGMA; Acide ellagique [INN-French]; NCGC00094975-03; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione dihydrate; Ellagic acid |
C14H6O8 |
302.193 |
c1(O[H])c([H])c2c(c(c(C(=O)O3)c([H])c(O[H])c4O[H])c4OC2=O)c3c1O[H] |
|
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] |
|
TCMBANKIN036811 |
brusatol |
ZZZYHIMVKOHVIH-MWFXHRFLSA-N; ZINC100062210; Brusatol; ST2406734; CHEMBL450464 |
C26H32O11 |
521 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C(=O)O
4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[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] |
|
TCMBANKIN036823 |
acteoside |
(E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester; Verbascoside; 22323-52-0; AKOS015965213; Acteoside; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-; AIDS030638; AC-6026; BC216166; 61276-17-3; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] ester; Kusaginin; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC 603831; (B864379); acteoside ; 27625-92-9; AIDS-030638; C10501; .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]; SCHEMBL18826154 |
C29H36O15 |
625 |
[C@@]1([H])(OC(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)[C@@]([H])(O[H])[C@]([H])(OC([H])([H]
)C([H])([H])c4c([H])c([H])c(O[H])c(O[H])c4[H])O[C@]1([H])C([H])([H])O[H] |
|
TCMBANKIN036825 |
Honokiol |
VZ32385; 354H746; NCGC00163567-01; HMS2051C12; 11513CCO0N; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-; 2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; ZINC00001536; STK801954; AIDS002243; FVYXIJYOAGAUQK-UHFFFAOYSA-N; AC-486; SMP2_000040; 5,3′ C10630; AX8008971; NSC-293100; AS-15333; W-2613; 3',5-diallyl-2,4'-biphenyldiol; AC1Q7A9U; MLS000759481; TR-014635; 564-73-8; SR-01000758208-5; 3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol; J10347; NC00114; SAM001246690; Bio-0326; MLS001423980; CHEBI:5759; 3'',5-diallylbiphenyl-2,4''-diol; REGID_for_CID_72303; O900; MolPort-002-507-432; SCHEMBL133034; InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H; BC205226; AN-15767; ANW-56605; MCULE-5001549020; ACN-035410; 3,5'-Diallyl-4,2'-dihydroxybiphenyl; Honokiol, >=98% (HPLC), powder; D04DQJ; CTK5J3931; BG01559998; SR-01000758208; BRD-K98493452-001-01-6; AC1L2HTG; AB0016711; AKOS005622639; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; AT-5464; 5,3''''-Diallyl-biphenyl-2,4''''-diol; RTR-014635; cid_72303; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; CHEMBL16901; 3',5-Diallyl-2,4'-dihydroxybiphenyl; 35354-74-6; 5,3′-Diallyl-2,4′-dihydroxybiphenyl; houpa; UNII-11513CCO0N; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; CPD000387107; HY-N0003; HMS3393C12; Honokiol; Q-100425; FT-0601638; 5,3''-Diallyl-biphenyl-2,4''-diol; 3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol; BBL027819; MFCD00016674; CCG-100864; ST24044036; AK-25837; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-; Honokiol, analytical standard; AJ-08043; BDBM50157304; 3',1'-biphenyl)-2,4'-diol; 5,3'-Diallyl-biphenyl-2,4'-diol; NSC293100; NCGC00163567-03; BG00615873; 4CN-0876; NSC 293100; H4914_SIGMA; KS-00000NQF; 3',5'-Diallyl-2,4'-biphenyldiol; SC-17371; BN0719; NCGC00163567-02; LS-174528; BB_NC-1461; s2310; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; API0002927; CS-1696; I06-0428; N1672; HMS2271J07; DTXSID30188845; SMR000387107; MLS001048916; AIDS-002243; HMS3656G03; Honokiol, HO; Honokiol, European Pharmacopoeia (EP) Reference Standard; ZINC1536; Honokiol,(S); MLS006011755; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; 5,3′-Diallyl-2,4′-dihydroxydiphenyl; 4-allyl-2-(3-allyl-4-hydroxyphenyl)phenol; 3',5-Diallylbiphenyl-2,4'-diol |
|
266.334 |
|
|
TCMBANKIN036826 |
hesperetin |
BSPBio_000168; KBio1_001039; BCBcMAP01_000087; CAS-520-33-2; C01709; KBio2_005797; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one; Spectrum3_001104; KBioGR_002311; IDI1_001039; 520-33-2; Prestwick0_000124; CHEBI:61249; EINECS 208-290-2; SPBio_001745; KBio2_003229; KBio2_000661; NSC 57654; NCGC00016482-02; Spectrum2_001793; hesperetin(1-); 3',5,7-Trihydroxy-4'-methoxyflavanone; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; Prestwick1_000124; ZINC00039092; AIDS-001413; (-)-hesperetin; Prestwick_908; BPBio1_000186; (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Spectrum5_000683; NCGC00142415-02; NINDS_001039; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate; Spectrum4_001935; Oprea1_828704; TNP00238; Prestwick3_000124; H4125_SIGMA; CHEBI:28230; SDCCGMLS-0066605.P001; KBio3_002028; SMP1_000148; SPBio_002107; DivK1c_001039; Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI); hesperetin; Prestwick2_000124; 3′,5,7-Trihydroxy-4-methoxyflavanone; Spectrum_000181; NCGC00016482-01; SPECTRUM310012; KBioSS_000661; AIDS001413; NCGC00142415-01; hesperetin anion; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone; YSO2; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; SBB005936; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI); BSPBio_002808; (2S)-hesperetin; (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
C16H14O6 |
302.279 |
c1(O[H])c([H])c(O[C@@]([H])(c2c([H])c([H])c(OC([H])([H])[H])c(O[H])c2[H])C([H])([H])C3=O)c3c(O[H])c1[H] |
|
TCMBANKIN036827 |
xanthohumol |
CHEBI:134289; xanthohumol(1-); 2',4,4'-trihydroxy-6'-methoxy-3-prenylchalcone; 3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate |
C21H22O5 |
354.4 |
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C |
|
TCMBANKIN036829 |
ursolic acid |
ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 |
C30H48O3 |
456.7 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
|
TCMBANKIN036835 |
wogonin |
CTK5B8471; AIDS-001403; CCG-208499; ZB015158; 5,7-dihydroxy-8-methoxyflavone; ZINC899093; 5,7-dihydroxy-8-methoxy-2-phenyl-chromone; BG01576594; AN-46964; 632-85-9; V1530; MCULE-9854289767; 5,7-dihydroxy-8-methoxy-2-phenyl-4-chromenone; Vogonin; AIDS001403; NSC717845; SC-25044; 10-29-7; AC1NQYXJ; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin); NCGC00247464-01; IN1943; ZINC111327191; BN0711; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-; s4743; SR-05000002216-2; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; HY-N0400; BDBM50140257; MFCD12828871; ST077088; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; DTXSID70212557; 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one; 632W859; MFCD00017736; CHEBI:10043; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; BRN 0287152; Wogonin; N1283; SCHEMBL139083; LMPK12111330; I14-8669; NCI60_040649; HMS2270G08; FT-0603499; wagonin; 5-18-04-00571 (Beilstein Handbook Reference); Q-100730; MolPort-001-742-489; SMR001397111; POK93PO28W; AC-20338; MLS002473006; SR-05000002216; CS-3959; CHEMBL16171; D00MXS; 4CN-1056; wogonin ; AKOS015917860; UNII-POK93PO28W; TR-021802; NSC-717845; C-17890; LS-68974; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; XLTFNNCXVBYBSX-UHFFFAOYSA-N; C10197; GP7400; 5,7-Dihydroxy-8-methoxyflavone |
C16H12O5 |
284.26 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
TCMBANKIN036842 |
piperine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.338 |
c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H] |
|
TCMBANKIN036848 |
triptolide |
PG 490; CT0223; Bio2_000315; AKOS015895128; KBio2_005451; BSPBio_001595; NCGC00163411-02; Triptolide; BCPP000033; Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; KBio3_000629; N1733; CHEBI:94966; SCHEMBL10028421; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; AC-6084; IDI1_034065; NCGC00163411-01; NSC163062; KBio2_002883; NSC 163062; Bio2_000795; Triptolid; HY-32735; BRD-A13122391-001-01-9; SMR000466307; MLS000759410; Triptolide (9CI); C09204; Triptolide, <i>Tripterygium wilfordii; PG-490; ST51052768; KBio2_000315; Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; CS-0286; KBio3_000630; Triptolide, from Tripterygium wilfordii, >=98% (HPLC), solid; 38748-32-2; PG490; SMP1_000110; KBioGR_000315; TPL; NCI60_001223; KBioSS_000315 |
C20H24O6 |
360.4 |
CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
|
TCMBANKIN036858 |
Tangeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
|
372.37 |
|
|
TCMBANKIN036871 |
Glabridin |
AIDS-096010; 59870-68-7; 4-(3,4-Dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-1,3-benzenediol; C10421; 4-((R)-8,8-Dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:4,3-b']dipyran-3-yl)-benzene-1,3-diol; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]benzene-1,3-diol; 1,3-Benzenediol, 4-(3,4-dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-, (R)-; AIDS096010; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]resorcinol; glabridin |
C20H20O4 |
324.37 |
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C |
|
TCMBANKIN036872 |
ginsenoside Rh2 |
ginsenoside-rh2; 78214-33-2; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tri; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tr; beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl; ginsenoside rh 2; Ginsenoside Rg3 metabolite; ginsenoside rh-2 |
C36H62O8 |
623 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])(
[H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(
O[H])[C@@]5([H])O[H] |
|
TCMBANKIN036875 |
geniposide |
AKOS015965362; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-; 27745-20-6; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-; ZINC03882101; 24512-63-8; Geniposide; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; AC-20245; C09781; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester |
C17H24O10 |
388.366 |
[C@]1([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)OC([H])=C(C(OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C([H])=C3C([H])([H])O[H])[C@]13[H] |
|
TCMBANKIN036876 |
genipin |
(1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09780; methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; SCHEMBL13526030; (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 6902-77-8; Genipin; SMR001397100; HMS2213D09; CHEMBL1317787; MLS002472994 |
C12H16O4 |
224.253 |
[C@]12([H])[C@]([H])(C(C([H])([H])O[H])=C([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])=C2C(OC([H])([H])[H])=O |
|
TCMBANKIN036882 |
coptisine |
Y0053; BDBM50030257; C19H14NO4; UNII-0GCL71VN14; AK198733; HSDB 8323; CHEMBL362071; Coptisine sulfate; 6020-18-4 (chloride); DTXSID10188404; XYHOBCMEDLZUMP-UHFFFAOYSA-N; AC1Q701I; Coptisine; alkaloid; C16938; HY-N0430; N1737; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7-dihydro-; 1198398-71-8; 0GCL71VN14; MEGxp0_001731; N2494; Q-100421; LS-44700; AC1L2HUS; KPT; CHEBI:67862; bis[methylenedioxy]protoberberine; I14-18844; NCI60_000465; 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium; FT-0689356; FT-0645075; ZINC1709414; 3486-66-6; 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium; AKOS015903291; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-; Coptisin; SCHEMBL156866; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-; 348C666; MolPort-020-005-796 |
C19H14NO4 |
321 |
c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(C([H])=C(C([H])=C(OC([H])([H])O4)C4=C5[H])C5=C6[H])=C36)c2[H] |
|
TCMBANKIN036888 |
Pinocembrin |
Spectrum5_000349; KBio3_002549; AIDS014893; (R)-5,7-Dihydroxy-2-phenylchroman-4-one; NCGC00017205-02; SDCCGMLS-0066749.P001; ZB000598; SpecPlus_000896; (-)-pinocembrin; pinocembrine; (2S)-5,7-dihydroxy-2-phenyl-4-chromanone; Spectrum_001879; AKOS030254805; KBio2_004969; URFCJEUYXNAHFI-CYBMUJFWSA-N; NCGC00017205-01; Spectrum3_001635; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-(-)-; ST023293; 5,7-Dihydroxyflavanone; BSPBio_003329; ZINC00073693; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-; (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one; AK582703; 206660-42-6; KBio2_007537; NCGC00142377-01; (2S)-5,7-dihydroxy-2-phenylchroman-4-one; TNP00071; Pinocembrin (6CI); NSC 279005; (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one; SCHEMBL10080882; Oprea1_508274; (R)-PINOCEMBRIN; DivK1c_006992; (2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; A836234; SPBio_001859; Spectrum2_001670; AIDS-014893; KBioSS_002406; KBio2_002401; CTK0J0172; AC1LDIB9; (2R)-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one; N2094; NSC 661207; (2R)-5,7-dihydroxy-2-phenylchroman-4-one; ZINC4935; BDBM26666; 480-39-7; KBioGR_002249; DTXSID30349853; CHEMBL399249; pinocembrin; ST024705; C09827; KBio1_001936; (R)-5,7-dihydroxyflavanone; (2S)-5,7-dihydroxy-2-phenyl-chroman-4-one; (2R)-5,7-DIHYDROXY-2-PHENYL-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; NSC 43318; Spectrum4_001765 |
C16H14O4 |
270.28 |
c1([H])c([H])c([H])c([C@@]2([H])Oc(c([H])c(C([H])([H])O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
|
TCMBANKIN036891 |
Stauntoside B |
|
|
778.9 g/mol |
|
|
TCMBANKIN036895 |
SAUCHINONE |
SCHEMBL1498622; sauchinone; CHEMBL520054; AKOS030631736; 177931-17-8; ZINC34647724; J-011331; AK683700; Y0181; CTK8G3055; (1S,12R,13S,14R,16R,23R)-13,14-DIMETHYL-2,6,8,20,22-PENTAOXAHEXACYCLO[10.10.1.0(1),(1)?.0(3),(1)(1).0?,?.0(1)?,(2)(3)]TRICOSA-3,5(9),10,18-TETRAEN-17-ONE; MolPort-027-720-909 |
C20H20O6 |
356.37 |
CC1CC2C3C(C1C)C4=CC5=C(C=C4OC36C(=CC2=O)OCO6)OCO5 |
|
TCMBANKIN036896 |
Dehydrocorybulbine |
SCHEMBL16804538; CHEMBL3343658; 2,9,10-trimethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol; dehydrocorybulbine; AC1NSUA1; BDBM50030258 |
C21H22NO3 |
337 |
c1([H])c([H])c(C([H])([H])C([H])([H])N(C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C2=C3C([H])([H])[H])=C34)c4c([H])c1OC([H])([H])[H] |
|
TCMBANKIN036902 |
magnolol |
UPCMLD-DP037:001; UNII-001E35HGVF; 001E35HGVF; TR-031540; FT-0628104; SR-01000758206-3; AN-15430; 2'-Bichavicol; NSC 293099; MLS001048917; STK801955; KS-000009BG; ZINC00001645; [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl-; 5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol; HMS3651O18; ZINC1645; PubChem19035; DS-1284; CTK1G9448; ST24029219; NCGC00161609-01; 2-(2-hydroxy-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol; HY-N0163; BN0720; 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol; MFCD00016658; SMP2_000086; SCHEMBL132477; 5,5'-Diallyl-2,2'-dihydroxybiphenyl; (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-; 3r5n; BC205200; Magnolol, European Pharmacopoeia (EP) Reference Standard; NSC293099; Magnolol, >=95% (HPLC), from plant; ACN-035415; SMR000387108; CM0085; Magnolol; NCGC00161609-02; magnolol ; MCULE-1351244567; AB0016717; VVOAZFWZEDHOOU-UHFFFAOYSA-N; 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol; 2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol; 2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 528-43-8; 4-allyl-2-(5-allyl-2-hydroxyphenyl)phenol; HMS2269N09; Dehydrodichavicol; AC1Q7B1V; 4CN-0760; D3971; 5,5′-Diallyl-2,2′-biphenyldiol; BBL027818; s2321; 5,5'-Diallylbiphenyl-2,2'-diol; NSC-293099; KB-279770; CHEMBL180920; CCG-208588; AJ-08064; S-2836; 5,5'-Diallyl-2,2'-biphenyldiol; 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol; SR-01000758206; HSDB 7686; DTXSID0044076; AIDS-002239; BR-72952; CHEBI:6643; SC-25620; J10186; 5,5;-Diallyl-[1,1;-biphenyl]-2,2;-diol; M3445_SIGMA; UPCMLD-DP037; 528M438; BDBM78304; I01-2281; O906; Q-100598; AX8016874; LS-44356; AIDS002239; 2,2'-Bichavicol; BG00615874; Kopnolia; AC-931; N1359; SR-01000758206-4; AK-72952; MolPort-002-507-434; BB_NC-1463; Bio-0675; BRD-K26168087-001-01-4; RTR-031540; AKOS005266409; ZB000381; REGID_for_CID_72300; cid_72300; C-16714; C10651; AC1L2HT7; SY016075; CC-30123; CJ-00060; CS-5021 |
C18H18O2 |
266.334 |
C([H])([H])=C([H])C([H])([H])c1c([H])c([H])c(O[H])c(c2c([H])c(C([H])([H])C([H])=C([H])[H])c([H])c([H])c2O[H])c1[H] |
|
TCMBANKIN036908 |
oleuropein |
32619-42-4; (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester; methyl (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate; CO0035; ZINC70647110; methyl (4S,5Z,6R)-4-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-oxidanylidene-ethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate; A821341; Oleuropein |
C25H32O13 |
540.51 |
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O |
|
TCMBANKIN036911 |
Neocryptotanshinone |
Tanshinone V; CHEMBL1209715; AC1L4E98; ACMC-20cs2t; MolPort-039-338-876; AC1Q6N8U; CTK4A6611; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; Neocryptotanshinone; 121077-35-8; SCHEMBL14417697; 1,4-Phenanthrenedione,5,6,7,8-tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-; 109664-02-0 |
|
314.376 |
|
|
TCMBANKIN036916 |
Artemisinin |
BSPBio_002998; KBio2_001831; BRN 4194670; Prestwick1_000498; LMPR01030025; Spectrum_001351; Artemisia annua L., extract; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; KBio2_004399; KBioSS_001831; KBio2_006967; Spectrum2_001512; Huanghuahaosu; Qinghaosu; Qing Hao Su; SPBio_001583; Artemisinine [French]; Artemisininum [Latin]; Arteannuin; (+)-Artemisinin; Artemisinina [Spanish]; artemisinin ; BPBio1_000435; Cotexin; KBio1_000656; Prestwick3_000498; KBioGR_000982; Qinghosu; Qinghaosu [Chinese]; Artesin; Quing Hau Sau; Prestwick2_000498; Spectrum5_001098; IDI1_000656; C09538; DivK1c_000656; Artemisinin [INN]; Artemisine; Qing Hau SU; 3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-; BSPBio_000395; Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; NSC 369397; Spectrum3_001549; KBio3_002498; 63968-64-9; NINDS_000656; SPBio_002316; Spectrum4_000721; D02481; Artemisinin; Artemisinine; Prestwick0_000498; Qing Hau Sau [Chinese] |
C15H22O5 |
282.332 |
C1([H])([H])[C@]2([H])[C@]3([C@@]([H])(O[C@@](C([H])([H])[H])(OO3)C([H])([H])C4([H])[H])OC(=O)[C@]2([H])C([H])([H])[H])[C@]4([H])[C@]([H])(C([H])([H])[H])C1([H])[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 |
|
TCMBANKIN036942 |
denudanolide D |
|
C23H28O6 |
400.465 |
c1([C@]2([H])[C@@]([H])(C([H])([H])[H])[C@]3(OC([H])([H])[H])OC(=O)[C@@]2([H])C(=C([H])[H])C(C([H])([H])C([H])=C([H])[H])=C3[H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN036951 |
Tanshilactone |
tanshilactone |
C17H12O3 |
264.28 |
CC1=CC=CC2=C1C=CC3=C2C(=O)OC4=C3OC=C4C |
|
TCMBANKIN036978 |
3'-O-acetylhamaudol |
[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate; Hamaudol acetate; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate; 3'-o-acetylhamaudol; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate; acetic acid [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; acetic acid [(7S)-5-hydroxy-4-keto-2,8,8-trimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; AC1NSTKZ |
C18H21O5 |
317 |
c12c(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O([H])([H])([H])C([H])=C=O)C1([H])[H])c([H])c3c(C(=O)C([H])=C(C([H])([H])[H])O3)c2O[H] |
|
TCMBANKIN037001 |
alpha-Guaiene |
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene |
C15H24 |
204.35 g/mol |
CC1CCC(CC2=C1CCC2C)C(=C)C |
|
TCMBANKIN037002 |
Danshenspiroketallactone |
dan shen-spiroketallactone; danshen spiroketallactone |
|
268.31 g/mol |
|
|
TCMBANKIN037057 |
Arachidoside |
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R-cis)-; 3'-o-methylepicatechin; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-; 3'-Methylepicatechin; arachidoside; 76549-34-3; 3'-O-Methyl-(-)-epicatechin; 3'-O-METHYL EPICATECHIN; Symplocosidin; 67FI825885; (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; LMPK12020111; CHEMBL2297044; SCHEMBL349242; CHEBI:70254; UNII-67FI825885 |
|
304.29 g/mol |
|
|
TCMBANKIN037131 |
ononin |
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside |
C22H22O9 |
430.405 |
[C@@]1([H])(O[H])[C@]([H])(C([H])([H])O[H])O[C@]([H])(Oc2c([H])c([H])c(C(=O)C(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])=C([H])O4)c4c2[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
|
TCMBANKIN037277 |
Oleanolic acid |
Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid |
C30H48O3 |
457 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C(
[H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN037280 |
obtusin |
Q-100954; 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione; 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthraquinone; SCHEMBL16226754; 0934AC; AC1L4E5Y; DTXSID20220869; CHEMBL511524; AK120353; AKOS016010643; ST24036903; 9,10-Anthracenedione, 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-; KB-216616; 1,7-Dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dioneObtusin; 1,7-dihydroxy-2,3,8-trimethoxy-6-methyl-anthracene-9,10-dione; obtusin; 4CH-024755; CHEBI:80881; BG01321412; AN-37719; 1,6,7-Trimethoxy-2,8-dihydroxy-3-methylanthracene-9,10-dione; ZINC6070308; AJ-55627; 70588-05-5; 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthraquinone; AX8245769; BDBM50133046; C17040; 588O055 |
C18H16O7 |
344.315 |
c1(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c(C(=O)c(c(OC([H])([H])[H])c(O[H])c(C([H])([H])[H])c2[H])c2C3=O)c3c1[H] |
|
TCMBANKIN037327 |
isodihydrofutoquinol a |
|
C21H24O5 |
356.41 |
CC(CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
TCMBANKIN037353 |
Kushenol E |
LMPK12140469; NCGC00180015-01; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one; BRD-A66388418-001-01-1; kushenol e; ACon1_001907; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-4-chromanone; SCHEMBL564110 |
C25H28O6 |
424.49 |
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C |
|
TCMBANKIN037362 |
Quercetagetin-3,4'-dimethyl ether |
5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one; quercetagetin-3,4'-dimethyl ether; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromone; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-chromenone; 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one |
C17H14O8 |
346.29 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC)O |
|
TCMBANKIN037382 |
Aloeemodin |
AC1Q6JR7; SMP2_000291; Aloe-emodol; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; DSSTox_RID_78855; AS-11638; NCGC00163510-02; HY-N0189; CCG-208456; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; AJ-48016; DTXSID2030695; BC216172; TL8003252; 3-(Hydroxymethyl)chrysazin; MLS000697563; BBL027838; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; AK160272; 481-72-1; aloe emodine; MCULE-6965338444; RP29614; 1, 8-dihydroxy-3-hydroxymethylanthraquinone; BB_NC-2562; NCGC00255349-01; C10294; SR-01000765772; BG00617009; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; ST24045939; DSSTox_CID_10695; Tox21_302400; NCGC00163510-03; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; Aloeemodin; s2259; CS-3709; TR-031339; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 4-08-00-03578 (Beilstein Handbook Reference); AIDS-048396; InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H; 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthrachinon; CAS-481-72-1; EINECS 207-571-7; UNII-C8IYT9CR7C; LMPK13040002; AC-020; NSC-38628; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; 1,8-dihydroxy-3-methylol-9,10-anthraquinone; CCRIS 3526; AC1L1UPK; BG01563188; LS-2202; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; Aloe emodin; AX8006287; SR-01000765772-3; Q-100526; SC-46578; 3-Hydroxymethylchrysazin; Rhabarberone; AIDS048396; NSC 38628; BRN 2059062; C8IYT9CR7C; N1851; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; AB0010470; Aloe-emodin, >=95% (HPLC); ZINC4098644; aloe emodin; HMS3655N16; D09BUG; CHEMBL40275; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); NCGC00163510-01; MLS006011799; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; AN-16215; NCI60_003685; Aloeemodin:9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,; cid_10207; 3-Hydroxymethylchrysazine; Aloe-emodin; SMR000470920; aloeemod-in; MFCD00017373; LMPK02000031; STL146380; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; MolPort-003-931-716; FT-0622062; aloe-emodin; API0001418; 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Rottlerin?; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; A7687_SIGMA; I14-1413; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); CA-417; BDBM50085551; Aloe-emodine; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; Aloe-emodin, analytical standard; AKOS005720864; aloe-emodin ; SCHEMBL309756; 481A721; EMODINE; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; CHEBI:2607; DSSTox_GSID_30695; CA0128 |
|
270.24 |
|
|
TCMBANKIN037392 |
Corypalline |
NSC131674; 450-14-6; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; corypalline |
|
193.24 |
|
|
TCMBANKIN037431 |
licarin b |
NSC370990; (-)-Licarin-B; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole; AC1NTO25; AN-41316; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole; 5-[(3S)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole; 51020-87-2; NSC-370990 |
C20H20O4 |
324.37 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN037459 |
N-(p-Hydroxyphenethyl) actinidine |
n-(p-hydroxyphenethyl)actinidine |
C18H22NO |
268.4 g/mol |
C1(C([H])([H])[H])=C([H])N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])C3=C1C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[H] |
|
TCMBANKIN037474 |
1,3,6-trihydroxy-2,5,7-trimethoxyxanthone |
|
C16H16O8 |
336.293 |
c1(O[H])c([H])c(O[C@]([H])(C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C3=O)c3c(O[H])c1OC([H])([H])[H] |
|
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 |
|
TCMBANKIN037581 |
erythraline |
SCHEMBL19584883; UNII-J7P8WA50QO; CHEMBL518262; Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-(methylenebis(oxy))-, (3beta)-; J7P8WA50QO; 466-77-3; Erythraline; Erythralin |
C18H19NO3 |
297.3 g/mol |
COC1CC23C(=CCN2CCC4=CC5=C(C=C34)OCO5)C=C1 |
|
TCMBANKIN037593 |
7beta,12-Dimethoxy-8,11,13-abietatrien-11-ol |
7beta,12-dimethoxy-8,11,13-abietatrien-11-ol; (4bS,10S)-3,10-dimethoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4-ol; AC1NSUSM; 7β,12-dimethoxy-8,11,13-abietatrien-11-ol |
C22H34O3 |
346.56 |
CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCCC3(C)C)C)OC)O)OC |
|
TCMBANKIN037648 |
Lutein |
SMP1_000317; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; SCHEMBL10029505; CHEBI:28838; NSC59193; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; C08601; LMPR01070274; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; lutein; 127-40-2; Xanthophyll; (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol; BCBcMAP01_000190; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol |
C40H56O2 |
568.87 |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
|
TCMBANKIN037659 |
bolusanthol B |
|
C20H20O6 |
356.369 |
c1([H])c(O[H])c([H])c(OC([H])([H])[C@]([H])(c2c([H])c(O[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c2[H])C3=O)c3c1O[H] |
|
TCMBANKIN037662 |
Flazin |
1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI; 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-; DTXSID20142890; 9H-Pyrido[3,4-b]indole-3-carboxylicacid, 1-[5-(hydroxymethyl)-2-furanyl]-; SCHEMBL18939677; 1-(5-methylol-2-furyl)-9H-$b-carboline-3-carboxylic acid; 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[5,4-b]indole-3-carboxylic acid; Flazine; 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5-(hydroxymethyl)-2-furanyl)-; AC1NTBKS; ACMC-20m33o; CHEMBL1822160; CHEBI:69443; USBWYUYKHHILLZ-UHFFFAOYSA-; 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid; 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid; USBWYUYKHHILLZ-UHFFFAOYSA-N; InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22); 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid; flazin; 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid #; 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[5,4-b]indole-3-carboxylic acid; CTK0H9535; 100041-05-2 |
|
308.29 |
|
|
TCMBANKIN037739 |
Helioscopinolide A |
helioscopinolide a |
|
316.4 g/mol |
|
|
TCMBANKIN037770 |
torachrysone |
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one; 1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone; 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone; C17672; Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-; Nakahalene; AKOS032948833; CHEBI:81265; 1-(1,8-dihydroxy-6-methoxy-3-methyl-naphthalen-2-yl)ethanone; CHEMBL2204398; BG01228450; ZINC13307187; Torachrysone; 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene; 1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene; SCHEMBL932035; MolPort-028-599-891; 22649-04-3; N-Nitroso-N-phenyl-Urea; AC1NT11I; CTK8H6905; W2033; 1-Nitroso-1-phenyl-Urea |
C14H14O4 |
246.259 |
c1(C([H])([H])[H])c([H])c(c([H])c(OC([H])([H])[H])c([H])c2O[H])c2c(O[H])c1C(=O)C([H])([H])[H] |
|
TCMBANKIN037813 |
genistein |
BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
|
TCMBANKIN037830 |
Picropodophyllin |
(10R,11S,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0;{3,7}.0;{11,15}]hexadeca-1,3(7),8-trien-12-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JQ; Picropodophyllin; KBioGR_002538; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(.alpha.-5a.alpha.,8a.alpha.,9.alpha.)]; Insulin-like Growth Factor-1 Receptor Inhibitor; SPECTRUM1504410; KBioSS_002116; BRN 0099161; NSC 36407; SCHEMBL13661743; Spectrum4_001836; IGF-1R Inhibitor, PPP; Spectrum3_001671; KBio2_004684; Lignans; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; KBio2_007252; C10871; SDCCGMLS-0066757.P001; Spectrum2_000520; AIDS006792; KBio3_002701; SPBio_000479; Picropodophyllotoxin; CCG-203057; AIDS-006792; KBio2_002116; 17434-18-3; Spectrum5_000631; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.alpha.,8a.alpha.,9.alpha.)]-; Picropodophyllin (8CI); Spectrum_001636; 477-47-4; BSPBio_003481; (5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; NCGC00161923-01; AC1L9DV2; NSC36407 |
|
414.41 |
|
|
TCMBANKIN037935 |
Rivularin |
5,2'-dihydroxy-7,8,6'-trimethoxyflavone |
|
344.32 |
|
|
TCMBANKIN037961 |
Ponticaepoxide |
|
|
182.22 |
|
|
TCMBANKIN037979 |
Corynoloxine |
corynoloxine |
|
365.38 |
|
|
TCMBANKIN038023 |
xanthoplanine |
Alkaloid FR-1; (+)-Xanthoplanine; 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium |
C23H30NO4 |
385 |
c1(OC([H])([H])[H])c([H])c2c([C@]([H])(C([H])([H])c(c([H])c(O[H])c(OC([H])([H])C([H])([H])[H])c3[H])c34)N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])c4c1OC([H])([H])C([H])([H])[H] |
|
TCMBANKIN038032 |
formononetin |
Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
C16H12O4 |
268.264 |
C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
|
TCMBANKIN038037 |
bisdehydrostemoninine A |
|
|
401.5 |
|
|
TCMBANKIN038090 |
neolignan |
|
C20H20O6 |
356.369 |
c12c(OC([H])([H])O1)c([H])c([H])c([C@]3([H])[C@@]([H])(C([H])([H])[H])[C@](OC([H])([H])[H])(OC(=O)[C@]34[H])C([H])=C(C([H])([H])C([H])=C([H])[H])C4=O)c2[H] |
|
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 |
|
TCMBANKIN038174 |
Isocolumbin |
|
|
358.39 |
|
|
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
|
TCMBANKIN038240 |
Tanshinaldehyde |
|
|
310.344 |
|
|
TCMBANKIN038262 |
alpha-Sinensal |
2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-; alpha-sinensal; 2,6,10-TRIMETHYL-2,6,9,11-DODECATETRAENAL; (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal; EINECS 241-854-6; .beta.-Sinensal; C09729; 2,6,10-trimethyldodeca-2,6,9,11-tetraenal; 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (2E,6E,9E)-; α-sinensal; 29994-82-9; 4955-32-2; 17909-77-2; .alpha.-Sinensal; (E,E,E)-2,6,10-Trimethyldodeca-2,6,9,11-tetraen-1-al; 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl- |
C15H22O |
218.33 |
CC(=CCC=C(C)C=C)CCC=C(C)C=O |
|
TCMBANKIN038275 |
(+)-medioresinol |
(+)-Medioresinol di-O-beta-D-glucopyranoside_qt |
C21H24O7 |
388.41 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
|
TCMBANKIN038286 |
medicarpin |
(-)-Demethylhomopterocarpin; (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol; Demethylhomopterocarpin; (-)-Medicarpin; AIDS031298; C10503; (-) Medicarpin; l-3-Hydroxy-9-methoxypterocarpan; NSC350085; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol; 6H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; NCI60_003118; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol; AIDS-031298; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; (l)-De-o-methylhomopterocarpan; (-)-3-Hydroxy-9-methoxypterocarpan; 3-Hydroxy-9-methoxypterocarpan, (-); MEGxp0_001319; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol; medicarpin; CHEBI:16114; 32383-76-9; ACon1_001568 |
C16H14O4 |
270.28 |
c1(O[H])c([H])c(OC([H])([H])[C@@]([H])(c2c(c([H])c(OC([H])([H])[H])c([H])c2[H])O3)[C@@]34[H])c4c([H])c1[H] |
|
TCMBANKIN038293 |
progesterone |
Cyclogesterin; Luteovis; Progeffik; (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Gesterol 50; Corlutin; Syngestrets; NCGC00090798-02; D4-Pregnene-3,20-dione; Hormoluton; Pranone; Crinone progesterone gel; Gesterol 100; Prometrium; Proluton; Luteodyn; Prestwick0_000477; Progestasert; SPBio_002553; .delta.4-Pregnene-3,20-dione; Pregnenedione; NSC-9704; P3972_SIGMA; Methylpregnone; 4-Pregnene-3,20-dione; Prolutone; U 3672; Lutocylin; Colprosterone; Utrogest; Lutocylol; CHEBI:17026; SMR000058345; Corporin; Lipolutin; NCGC00090798-01; P8783_SIGMA; Synovex S; ACon1_002078; 3,20-Pregnene-4; Prestwick_411; Progesterone, water-soluble; Cyclogest; progesterone ; Luteal hormone; Prolets; AIDS070516; NCI60_042166; (S)-Pregn-4-en-3,20-dione; 6.alpha.-Methylpregn-4-en-17.alpha.-ol-3,20-dione; Prolidon; NSC 64377; (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Nalutron; Progesterone [BAN:INN:JAN]; Progesteronum [INN-Latin]; STR; Flavolutan; Percutacrine Luteinique; Prontogest; Lutocyclin M; Akrolutin; Lugesteron; Corlutina; SCHEMBL12237373; ZINC03814383; Gynlutin; Gynoluton; Prestwick3_000477; Lutogyl; Progesterone: 2-hydroxypropyl-beta-cyclodextrin complex; Crinone (TN); Gynolutone; Spectrum5_002053; Gesterol; AIDS-070516; Progestronol; Luteopur; Corpus luteum hormone; Lutoform; Luteol; 6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione; 17alpha-Progesterone; STOCK1N-52522; Progesterona [INN-Spanish]; Hormoflaveine; Pregn-4-ene-3,20-dione, 17alpha-hydroxy-6alpha-methyl-; Progesterone [Progestins]; Delta(4)-pregnene-3,20-dione; Progesterone: HBC complex; Delta4-Pregnene-3,20-dione; .beta.-Progesterone; Piaponon; Progestrel; Primolut; Gestone; Pregnene-3,20-dione; Syntolutan; NSC64377; MEGxm0_000472; Progesteron; Gelbkoerperhormon; Membrettes; Progestogel; Gestron; EU-0100895; MLS000028517; Prolutin; EINECS 200-350-6; Luteinique; 57-83-0; Progestron; P9776_SIGMA; NCGC00179853-01; Luteol (VAN); Utrogestan; Lutidon; Progesterol; Luteosan; Gestormone; Gestiron; Progesterone; Lutocuclin M; D00066; Endometrin; Lutin; Progestol; Fologenon; C00410; BG01605063; Lucorteum; 8023-13-0; AI3-51682; 8012-32-6; Luteogan; Agolutin; Progesterone (JP15/USP/INN); 17.alpha.-Hydroxy-6.alpha.-methylpregn-4-ene-3,20-dione; MLS000758277; Crinone; 17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione; Luteohormone; S00293; BPBio1_000676; 17.alpha.-Progesterone; Pregn-4-ene-3,20-dione, 17.alpha.-hydroxy-6.alpha.-methyl-; CMC_13406; NSC 9704; NCGC00022185-06; Luteocrin normale; Progestosol; Protormone; (S)-4-Pregnene-3,20-dione; P6149_SIGMA; Luteine; Lutren; P7556_ALDRICH; 257630-50-5; COL-1620; MolPort-001-740-063; SBB012538; delta(sup4)-Pregnene-3,20-dione; NSC9704; component of Cyclogesterin; Syngesterone; FE-999913; Bio-luton; Prestwick1_000477; NCGC00022185-07; nchembio.2007.53-comp14; Pregn-4-ene-3,20-dione; (1S,3BS,9AR,11AS)-1-ACETYL-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-ONE; 753497-20-0; CCRIS 533; Vitarrine; delta(sup 4)-Pregnene-3,20-dione; Progestone; Luteum; Lipo-Lutin; Progestin; Lutociclina; Progesteronum; WLN: L E5 B666 OV MUTJ A1 E1 FV1; Progekan; .delta.(sup4)-Pregnene-3,20-dione; 46665_RIEDEL; AKOS030503393; Projestaject; Lingusorbs; Lucorteum Sol; Lopac0_000895; Lutex; P0130_SIGMA; Prochieve; Corluvite; BSPBio_000614; BRD-A51738545-001-01-0; Prestwick2_000477; Luteostab; Progesterone; 4-Pregnene-3,20-dione; Lutocyclin; Glanducorpin; Prometrium (TN); HSDB 3389; Lutromone; (S)-Progesterone |
C21H30O2 |
314.46 |
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
|
TCMBANKIN038354 |
gibberellin A9 |
gibberellin a9 |
C19H24O4 |
316.39 |
CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O |
|
TCMBANKIN038393 |
vitetrifolin d |
|
C24H38O5 |
406.6 g/mol |
CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C |
|
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] |
|
TCMBANKIN038555 |
Triptonoterpene methyl ether |
AC1NT19F; triptonoterpene methyl ether; 5-hydroxy-8-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
C21H30O3 |
330.5 g/mol |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O |
|
TCMBANKIN038593 |
8-methoxy-9-hydroxythymol |
|
C11H16O3 |
196.27 |
|
|
TCMBANKIN038607 |
Prostaglandin B1 |
28548-74-5; KBio2_005338; Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-; KBio2_000202; Bio2_000202; MLS000069509; 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid; LMFA03010131; PGB1; SMR000058636; NSC-165558; Bio1_000223; AIDS-003355; prostaglandin b1; NCGC00024019-04; AIDS003355; BSPBio_001482; 7-[2-[(3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid; KBioGR_000202; IDI1_033952; 1811-73-0; KBio3_000404; KBio3_000403; 7-[2-[(3S)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid; 9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid; 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid; C00959; KBio2_002770; CHEBI:27624; KBioSS_000202; NSC165558; NCGC00024019-03; CBiol_001937; P5265_SIGMA; Bio2_000682; 13345-51-2; (13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid; Prostaglandin- B1; Bio1_001201; Bio1_000712; 16363-22-7; 13345-42-1 |
|
336.47 |
|
|
TCMBANKIN038711 |
Columbamine |
BDBM50226664; Dibenzo[a,g]quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; SCHEMBL422073; HY-N0926; AKOS030526792; CS-4254; STOCK1N-48595; 5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium; FT-0723334; 3621-36-1; 7T4808FEJW; 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium; AC1Q7BDJ; CHEBI:15920; KS-00000TTK; DTXSID80189766; 3,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium-2-ol; CTK4H6087; AC1L2HU1; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; C01795; 5,6-Dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium iodide; columbamine ; MCULE-1960820824; 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol; UNII-7T4808FEJW; Dehydroisocorypalmine; 7,8,13,13a-tetradehydro-2-hydroxy-3,9,10-trimethoxyberbinium; MolPort-002-523-367; YYFOFDHQVIODOQ-UHFFFAOYSA-O; Dibenzo[a,g]quinolizinium,5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-; LS-182873; ZINC338120; AK547771; Columbamine; 9161AF; CHEMBL400345 |
C20H20NO3 |
323 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C2=C3[H])=C34)c4c([H])c1[H] |
|
TCMBANKIN038713 |
Syringetin |
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; syringetin; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-; ST5331606; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one; CHEBI:18215; 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone; 4423-37-4; 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; C11620; 3',5'-O-Dimethylmyricetin |
|
346.29 |
|
|
TCMBANKIN038735 |
nardostachin |
3-methylbutanoic acid [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-4-[(3-methyl-1-oxobutoxy)methyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] ester; AC1L5267; 114687-82-0; DTXSID80150830; 3-methylbutyric acid [(1S,4aS,6S,7R,7aS)-6-hydroxy-4-(isovaleryloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] ester; [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate; Butanoic acid, 3-methyl-, (1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-; [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-4-(3-methylbutanoyloxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate; nardostachin |
C20H32O6 |
368 |
[C@@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])OC([H])=C2C([H])([H])OC(C([H])([H])C([H])(C([H])([H])[H])C([
H])([H])[H])=O |
|
TCMBANKIN038753 |
8-hydroxypinoresinol |
|
C20H22O7 |
374.384 |
O1[C@]([H])(c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])[C@@](O[H])(C([H])([H])O[C@@]3([H])c4c([H])c(OC([H])([H])[H])c(O[H])c([H])c4[H])[C@]3([H])C1([H])[H] |
|
TCMBANKIN038754 |
Arctiin |
4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone; 2-(hydroxymethyl)-6-methyloxane-3,4,5-triol; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one; AIDS-002468; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one; 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI); Arctiin (8CI); 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-; (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one; AIDS002468; (3R,4R)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one; NSC 315527; ACon1_001261; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one; 2-(hydroxymethyl)-6-methyl-oxane-3,4,5-triol; MEGxp0_000527; A814488 |
C27H34O11 |
535 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])
c([H])c3[H])c([H])c([H])c1OC([H])([H])[H] |
|
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] |
|
TCMBANKIN038817 |
Frutinone A |
FT-0668883; frutinone a; I14-21786; 6H,7H-chromeno[4,3-b]chromene-6,7-dione; ACM38210274; 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-6,7-dione; CHEBI:5179; SCHEMBL11869493; 38210-27-4; AC1L9C0Q; AKOS015906673; chromeno[3,2-c]chromene-6,7-quinone; chromeno[4,3-b]chromene-6,7-dione; ZINC00897930; chromeno[3,2-c]chromene-6,7-dione; ZINC897930; C09008; DTXSID90331693 |
C16H8O4 |
264.232 |
c1([H])c([H])c(C(=O)C(C(=O)Oc(c([H])c([H])c([H])c2[H])c23)=C3O4)c4c([H])c1[H] |
|
TCMBANKIN038849 |
Erythrocentaurin |
Erythrocentaurine; AKOS032949101; 5-Formyl-3,4-dihydroisocoumarin; AC1L4RWZ; 3,4-Dihydro-1-oxo-1H-2-benzopyran-5-carbaldehyde; 1-Oxo-3,4-dihydro-1H-isochromene-5-carbaldehyde #; CTK4J2377; 295RS6D94V; 1-oxo-3,4-dihydroisochromene-5-carbaldehyde; CHEMBL3397161; DTXSID30198282; UNII-295RS6D94V; 1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-1-oxo-; 1-oxoisochroman-5-carbaldehyde; erythrocentaurin; 50276-98-7; AC1Q6Q8L; SCHEMBL1649253; 1-oxo-5-isochromancarboxaldehyde; TUADBWMDDLWUME-UHFFFAOYSA-N; ZINC3652723; 1-ketoisochroman-5-carbaldehyde |
C10H8O3 |
176.17 |
C1COC(=O)C2=CC=CC(=C21)C=O |
|
TCMBANKIN038904 |
Praeruptorin D |
praeruptorin d |
|
426.46 |
|
|
TCMBANKIN038985 |
10(E)-beta-Santalic acid |
(E)-2-methyl-5-[(1S,4R,6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-enoic acid; InChI=1/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5+/t12-,13?,15?/m1/s; (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-enoic acid; (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-enoic acid |
C15H22O2 |
234.334 |
C1([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[C@]1([H])C(=C([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(\C(O[H])=O)/C([H])([H])[H] |
|
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 |
|
TCMBANKIN039051 |
Glyzaglabrin |
7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone; AC1NSW1C; LMPK12050085; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)-4-chromenone; 7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromone; glyzaglabrin |
C16H10O6 |
298.25 g/mol |
C1OC2=C(O1)C(=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O |
|
TCMBANKIN039168 |
Zaluzanin C |
|
|
246.3 g/mol |
|
|
TCMBANKIN039204 |
berberrubine |
|
C19H16NO4 |
323 |
c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(=C([H])c(c(O[H])c(OC([H])([H])[H])c([H])c4[H])c45)C3=C5[H])c2[H] |
|
TCMBANKIN039229 |
Oxychelerythrine |
28342-33-8; AKOS032948933; LS-52943; AC1L3UTW; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one; ZINC900932; DTXSID70182584; SCHEMBL10633372; Dihydrooxochelerythrine; 1,2-Dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-13(12H)-one; C12225; BRN 0345198; MolPort-039-338-210; CCRIS 3805; CHEBI:31141; 17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAEN-20-ONE; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl- (9CI); oxychelerythrine; Oxycheleritrine; [1,3]Benzodioxolo[5,6-c]phenanthridin-13(12H)-one,1,2-dimethoxy-12-methyl-; Chelerythrine, 12,13-dihydro-13-oxo-; 6-Oxochelerythrine; 4-27-00-06655 (Beilstein Handbook Reference); 7,8-dimethoxy-2,3-methylenedioxy-5-methylbenzo [c]phenanthridin-6(5h)-one; (1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl- |
C21H17NO5 |
363.36 |
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C(=C(C=C5)OC)OC |
|
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 |
|
TCMBANKIN039337 |
Norartocarpetin |
norartocarpetin; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; AIDS095981; 2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 520-30-9; AIDS-095981; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
|
286.236 |
|
|
TCMBANKIN039341 |
Corydine |
4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (S)-; IDQUPXZJURZAGF-UHFFFAOYSA-N; 2,10,11-Trimethoxy-6a.alpha.-aporphin-1-ol; (+)-(S)-Corydine; MCULE-2539231400; STOCK1N-48890; DL-Corydine; NSC688261; (6Ars)-5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-1-ol; 2505-56-8; corydine; 1-Hydroxy-2,10,11-trimethoxy-6a.alpha.-aporphine; NP-011329; d-Corydine; AC1L390N; Glaucentrine; Glaucentrin; Corytuberine methyl ether; 5-21-06-00134 (Beilstein Handbook Reference); (S)-(+)-Corydine; NCGC00384558-01!2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol; 3,4,15-TRIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-16-OL; (+)-Corydine; 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-; AKOS016023672; CHEMBL2002847; NSC-688261; MolPort-001-742-663; O(sup 11)-Methylcorytuberine; O(11)-Methylcorytuberine; 6a-alpha-APORPHIN-1-OL, 2,10,11-TRIMETHOXY-; NCI60_031859; SCHEMBL11250050; BRN 0095568; 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (6aS)-; Corydine, (+/-)-; (+/-)-Corydine; 6a.alpha.-Aporphin-1-ol, 2,10,11-trimethoxy-; 2,10,11-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (S)- # |
|
341.4 |
|
|
TCMBANKIN039387 |
Furanodiene |
(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 4CN-2047; ZINC33831282; 57566-47-9; 19912-61-9; cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E)-; (5E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; AC1NSVKM; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; LS-55942; furanodiene; 3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9Z)-; InChI=1/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6; Germacra-1(10),4,7,11-tetraene, 8,12-epoxy-, (Z,E)- |
C15H20O |
216.32 |
CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
|
TCMBANKIN039437 |
hexahydrocurcumin |
HY-N0929; AKOS028109862; CHEMBL479650; (RS)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone; CS-4377; CHEBI:81358; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one; NP-003852; MEGxp0_001211; DTXSID00415731; AC1NSWAP; Hexahydrocurcumin; SCHEMBL290121; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-one; 9555AF; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one; (hexahydrocurcumin); Hexahydrocurcumin, analytical standard; 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-; C17826; MolPort-001-741-439; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxylphenyl)-3-heptanone |
C21H26O6 |
374.428 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H] |
|
TCMBANKIN039439 |
Tanshinone IIa |
SCHEMBL4126834; CHEMBL187266; UNII-4GPC9FQG6L; tanshinone II A; Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; 568T729; BB_NC-1062; HMS1361P19; 17545-07-2; SCHEMBL2026738; CHEBI:108595; FT-0652880; AKOS004120032; MLS006011840; AC-1440; BSPBio_002426; HMS2270D15; SMR000387068; Acid Red 5 sodium salt; CT0134; Tanshinone IIA, >=97% (HPLC); NCGC00095755-03; Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard; ACN-035345; CTK5A5836; Tanshinone IIA, analytical standard; AIDS-150197; s2365; NCGC00095709-01; HMS1791P19; CCG-208275; SC-17279; 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione-, (R)-; I06-0439; SR-01000758926-4; KBio3_000634; 1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dion; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione; Tanshinon II; AC1L4V8J; 4CN-0930; KBio2_000317; HSDB 8104; AN-14938; Tanshinone IIA; RTR-031585; BC205184; BRD-K00141480-001-03-0; AC1LAW3B; TL8003671; NCI60_031209; Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione; SMR004703500; CCG-207955; N1846; (?)-Cryptotanshinone; NCGC00095709-04; Phenanthro[1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; Tanshinone II; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #; HMS3656C11; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; KBioSS_000317; SR-01000758926-2; MCULE-8689433740; NCGC00095709-03; I14-22013; Bio2_000317; NP474; NCGC00095709-02!TANSHINONE IIA; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; BC678108; A831217; BBL010026; CTK8I3995; NSC686519; AS-16136; UPCMLD-DP042:001; KBioGR_000317; SBB066119; Dan Shen Ketone; STK801405; SR-01000758926-5; NSC-686519; S594; 1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; BG00628358; Ambotz568-72-9; MFCD00238692; Tanshinone A; InChI=1/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3; BBL028449; Tanshinone B, Tanshinone II, 568-72-9; Tanshinone B; Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard; Cryptotanshinon; CHEMBL1518673; MLS001048863; STK801917; KBio2_005453; TR-031585; MolPort-002-507-310; AC1Q6JLQ; NCGC00095709-05; (-)-Cryptotanshinone; HMS3402P19; NCGC00095709-06; W-2832; SPECTRUM1505824; 4GPC9FQG6L; C19H18O3; Bio2_000797; HMS2089H08; Q-100654; Tanshinone IIa; Cryototanshinone; KBio2_002885; BDBM83922; IDI1_034067; 568-72-9; MLS006011834; BSPBio_001597; DTXSID60205352; GVKKJJOMQCNPGB-UHFFFAOYSA-; HYXITZLLTYIPOF-UHFFFAOYSA-N; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione; HMS1989P19; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,7,9,11(15)-tetraene-16,17-dione; SR-01000758926; BIB6295; NCGC00095709-02; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; cid_164676; ZINC01650576; NCGC00095755-01; MFCD05671363; GP2434; 1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione; Tanshinone IIA (Tanshinone B); LS-175776; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; HMS3655P20; NSC 686518; I06-0645; tanshinone ii a; Tanshinone 2-A; KBio3_000633; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone; UPCMLD-DP042; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; AB0018692; NSC686518; AIDS150197; API0010219; GVKKJJOMQCNPGB-UHFFFAOYSA-N; STOCK1N-48169; HY-N0135; AKOS005612965; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione; TanshinoneIIA; ZINC1650576; 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; Neuro_000424 |
|
294.34 |
|
|
TCMBANKIN039463 |
Isobetanidin |
|
|
388.33 |
|
|
TCMBANKIN039472 |
rhynchophylline |
SCHEMBL18779880; AKOS025402303; methyl (Z)-2-[(6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate; AC-7977; Rhynchophylline; AC1NSX50; 76-66-4 |
C22H28N2O4 |
384.5 g/mol |
CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
|
TCMBANKIN039521 |
Isaindigodione |
isaindigodione; 1,6-(2-Oxoindoline-3,3-diyltrimethylene)-2-methyl-4(1H)-oxo-5,6-dihydronicotinic acid; AC1NSWWN; 4'-methyl-2,2'-dioxospiro[1H-indole-3,6'-7,8,9,9a-tetrahydro-1H-quinolizine]-3'-carboxylic acid |
|
326.3 g/mol |
|
|
TCMBANKIN039557 |
amentoflavone |
BDBM50129952; CTK8F7701; CC-24050; Q-100192; 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 1617-53-4; CHEBI:2631; AC1NQYPA; 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione; 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; MFCD00017470; N2268; DTXSID20167225; HMS3343J17; amentoflavone ; C10018; 40584_FLUKA; MFCD20275041; 2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; A810291; CS-4945; AIDS000485; NSC295677; UNII-9I1VC79L77; KS-00000037; 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; ZINC3984030; NCGC00247542-01; SR-01000721725; SCHEMBL312563; HMS2228B12; 8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3',8''-Biapigenin; Didemethyl-ginkgetin; amentoflavone; 9I1VC79L77; cid_5281600; SC-13592; 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one; YUSWMAULDXZHPY-UHFFFAOYSA-N; AN-49542; BIDD:PXR0028; 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; D06HRX; 3',8-Bi[4',5,7-trihydroxyflavone]; MolPort-001-741-078; 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl); MEGxp0_000924; 8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one; SMR000156235; 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; W1536; Amentoflavone, >=99.0% (HPLC); HY-N0662; MLS000574827; SR-01000721725-2; Amenthoflavone; C-23136; NSC-295677; LMPK12040009; 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; I07-0160; 79596-89-7; CHEMBL63354; 4H-1-Benzopyran-4-one,8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-; SR-01000721725-3; FT-0622262; AIDS-000485; AKOS015896819; 4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone, 8CI; NSC 295677; BG01783910; Tridemethylsciadopitysin; Amentoflavone, analytical standard; 617A534; Ambotz1617-53-4; 4',5,7-Trihydroxyflavone(3'->8)-4',5,7-trihydroxyflavone |
C30H18O10 |
538.458 |
c12c(OC(c3c([H])c([H])c(O[H])c(c(c(O[H])c([H])c4O[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5[H])=C([H])C6=O)c46)c3[H])=C([H])C1=O)c([H])c(O[H])c([H])c2O[H] |
|
TCMBANKIN039559 |
(S)-tryptophan-betaxanthin |
|
C20H20N3O6 |
399 |
c1([H])c([H])c([H])c(c(C([H])([H])[C@]([H])(C(O[H])=O)N([H])=C([H])\C([H])=C(/C2([H])[H])\C([H])=C(C(O[H])=O)N([H])[C@]2([H])C(O[H])=O)c([H])n3[H])c3c1[H] |
|
TCMBANKIN039594 |
rubilactone |
Rubilactone; 3'-Carbomethoxy-4'-hydroxynaphtho(1',2'-2,3)pyran-6-one; methyl 6-hydroxy-2-oxo-benzo[h]chromene-5-carboxylate; 6-hydroxy-2-oxo-5-benzo[h]chromenecarboxylic acid methyl ester; 6-hydroxy-2-keto-benzo[h]chromene-5-carboxylic acid methyl ester; DTXSID80161966; CHEMBL502634; 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2-oxo-, methyl ester; 142182-54-5; methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate; SCHEMBL16453602; AC1L30XS |
C15H10O5 |
270.237 |
c1([H])c([H])c(c(O[H])c(C(OC([H])([H])[H])=O)c(C([H])=C([H])C(=O)O2)c23)c3c([H])c1[H] |
|
TCMBANKIN039609 |
Epidanshenspiroketallactone |
|
|
340.4 g/mol |
|
|
TCMBANKIN039755 |
Glechomanolide |
|
|
232.318 |
|
|
TCMBANKIN039832 |
Phaseol |
|
|
336.3 g/mol |
|
|
TCMBANKIN039836 |
preleoheterin |
epi-preleoheterin |
C20H30O4 |
334 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]2(O[C@@]3(C([H])=C([H])OC3([H])[H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C4=O)[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H]
)[H] |
|
TCMBANKIN039849 |
Divaricatol |
|
|
334.3 g/mol |
|
|
TCMBANKIN039868 |
isocurcumenol |
isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol |
C15H22O2 |
234.334 |
[C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
|
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 |
|
TCMBANKIN039900 |
Futokadsurin C |
futokadsurin c |
|
356.4 g/mol |
|
|
TCMBANKIN039959 |
4,7-Dihydroxy-3-butylphthalide |
3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide |
|
222.26 |
|
|
TCMBANKIN039979 |
flavanthrinin |
|
C15H12O3 |
240.25 |
COC1=C2C(=CC(=C1)O)C=CC3=C2C=CC(=C3)O |
|
TCMBANKIN039998 |
coniferyl ferulate |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenyl ester; [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 63644-62-2; coniferyl ferulate; [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
C20H20O6 |
356.369 |
c1(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C(=O)OC([H])([H])\C([H])=C([H])\c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H] |
|
TCMBANKIN040009 |
dehydrodiisoeugenol |
|
C20H22O4 |
326.39 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN040017 |
stizolamine |
|
C7H11N5O2 |
197.19 |
CN1C(=CN=C(C1=O)N=C(N)N)CO |
|
TCMBANKIN040061 |
Przewaquinone B |
przewaquinone b; 14-(HYDROXYMETHYL)-6-METHYL-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),3,5,8,11(15),13-HEPTAENE-16,17-DIONE; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g]benzofuran-10,11-dione; CETREAVXUDHZGK-UHFFFAOYSA-N; AC1LDNAN; 6-methyl-1-methylol-naphtho[1,2-g]benzofuran-10,11-quinone; 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione; SCHEMBL16152288; 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione #; 1-(hydroxymethyl)-6-methyl-naphtho[1,2-g]benzofuran-10,11-dione; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzofuran-10,11-dione; 76829-01-1; 1-(hydroxymethyl)-6-methylnaphtho[1,2-g][1]benzoxole-10,11-dione; 1-(hydroxymethyl)-6-methyl-naphtho[1,2-g][1]benzoxole-10,11-dione |
|
292.285 |
|
|
TCMBANKIN040080 |
regaloside D |
regaloside d |
C18H24O10 |
400.38 |
C1=CC(=CC=C1C=CC(=O)OC(CO)COC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN040127 |
przewalskin c |
|
C21H30O3 |
330.5 g/mol |
CC(C)C1=C(C(=C2CC3=CCCC(C3CC(C2=C1)OC)(C)C)O)O |
|
TCMBANKIN040265 |
stemoninoamide |
tuberostemoamide |
C17H23NO4 |
305.369 |
[C@@]12([H])[C@]([H])(O[C@@]3(OC(=O)C(C([H])([H])[H])=C3[H])[C@@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N4[C@@]2([H])C([H])([H])C([H])([H])C4=O |
|
TCMBANKIN040366 |
Licoflavonol |
licoflavonol; 3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromone; AIDS-095974; AIDS095974; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; 60197-60-6 |
C20H18O6 |
354.35 |
CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN040419 |
panaxytriol |
(3R,9S,10S)-Panaxytriol; SCHEMBL87655; heptadeca-1-ene-4,6-diyne-3,9,10-triol; Panaxytriol |
C17H26O3 |
278.39 |
CCCCCCCC(C(CC#CC#CC(C=C)O)O)O |
|
TCMBANKIN040493 |
phellodensin c |
phellodensin-c |
C20H20O7 |
372.4 g/mol |
CC(C)(C1CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)O |
|
TCMBANKIN040550 |
Glyasperin C |
4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]benzene-1,3-diol; AIDS-096014; 4-[(R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-benzene-1,3-diol; 4-((R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-benzene-1,3-diol; 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3-chromanyl]benzene-1,3-diol; AIDS096014; 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]resorcinol; 142474-53-1; glyasperin c |
C21H24O5 |
356.41 |
CC(=CCC1=C(C2=C(C=C1O)OCC(C2)C3=C(C=C(C=C3)O)O)OC)C |
|
TCMBANKIN040555 |
genkdaphin |
(1R,3aS,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one; Genkdaphin |
C20H16O7 |
368.337 |
C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=C6C(=CC=C5)OCO6 |
|
TCMBANKIN040571 |
4,7-dimethyl-1-tetralone |
|
C12H14O |
174.24 g/mol |
CC1CCC(=O)C2=C1C=CC(=C2)C |
|
TCMBANKIN040635 |
Americanin A |
americanin a |
|
328.32 |
|
|
TCMBANKIN040705 |
Licoisoflavone B |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl; AIDS071701; 66056-30-2; AIDS-071701 |
|
352.34 |
|
|
TCMBANKIN040739 |
Isoponcimarin |
|
|
330.38 |
|
|
TCMBANKIN040747 |
Epiberberine |
SMR000232286; AK199153; BDBM50986; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0_,__.0?,?.0_?,_?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; SC-81909; ZINC6017816; CTK5C8375; FT-0688286; Epiberberine; DTXSID90218854; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; MolPort-039-052-346; HMS3358O04; AKOS025149077; GNF-Pf-2355; 8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium; epiberberine ; NCGC00247623-01; CHEMBL1197637; N2453; HMS2229E04; 6873/9/2; MLS000563434; Benz(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 11,12-dihydro-8,9-dimethoxy-; AC1L4ODP; HY-N0226; cid_160876; AC1Q701H |
|
337 |
|
|
TCMBANKIN040788 |
liquiritin |
(2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chroman-4-one; CTK8G0592; 7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one; MCULE-9356107980; 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-, (S)-; 7-Hydroxyflavanone 4'-O-glucoside; (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one; (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chroman-4-one; MLS000575018; AIDS166098; 4',7-Dihydroxyflavanone 4'-(beta-D-glucopyranoside); 551-15-5; SMR000232362; AIDS-166098; Likviritin; 4',7-Dihydroxyflavanone 4'-(beta-D-glucoside); 100483-53-2; MolPort-021-804-452; 17654-21-6; Liquiritoside; 30372-08-8; (S)-7-Hydroxy-2-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-chroman-4-one; 31564-20-2; (2S)-7-hydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromanone; (S)-2-(4-(beta-D-Glucopyranosyloxy)phenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one; LMPK12140021 |
C21H22O9 |
418.394 |
c1([H])c([H])c(C(=O)C([H])([H])[C@]([H])(c2c([H])c([H])c(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])c2[H])O4)c4c([H])c1O[H] |
|
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] |
|
TCMBANKIN040907 |
Ayanin |
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-chromenone; 3',5-Dihydroxy-3,4',7-trimethoxyflavone; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one; CHEBI:27825; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one; 572-32-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one; NCI60_032905; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one; NSC691652; ayanin; 4H-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4methoxyphenyl)-3,7-dimethoxy-; C04444; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,7-dimethoxy-chromone; 3,7,4'-Tri-O-methylquercetin |
C18H16O7 |
344.32 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O |
|
TCMBANKIN041062 |
yakuchinone b |
1-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-, (1E)-; yakuchinone-b; 81840-57-5; (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one; (E)-1-(4-hydroxy-3-methoxy-phenyl)-7-phenyl-hept-1-en-3-one; 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenylhept-1-en-3-one; (E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one |
C20H22O3 |
310.39 |
COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O |
|
TCMBANKIN041080 |
β-amyrin acetate |
Acetic acid oleana-12-ene-3alpha-yl ester; b—Amyrin-acetate; beta-amyrin acetate; 3β-O-acetoxyolean-12-en- 28-oic acid; β- amyrin acetate; beta-amyrin acetate ; beta-Amyrin acetate |
C32H52O2 |
468.75 |
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
|
TCMBANKIN041140 |
Biflorin |
5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 89701-85-9; C08996; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; biflorin; 6beta-C-Glucopyranosyl-5,7-dihydroxy-2-methylchromone; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C16H18O9 |
354.309 |
c1([C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(O[H])c(C(=O)C([H])=C(C([H])([H])[H])O3)c3c([H])c1O[H] |
|
TCMBANKIN041188 |
Ledebouriellol |
|
|
374.384 |
|
|
TCMBANKIN041231 |
tanshindiol B |
(6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; tanshindiol b; (6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; (6R,7S)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
C18H18O5 |
314.333 |
C1([H])([H])C([H])([H])c(c(C(=O)C(=O)C([C@@]([H])(C([H])([H])[H])C([H])([H])O2)=C23)c3c([H])c4[H])c4[C@@](O[H])(C([H])([H])[H])[C@]1([H])O[H] |
|
TCMBANKIN041250 |
Corydaline |
518-69-4; CORYDALINE; C15530; NSC 406036; CHEMBL1209608; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-E)-; 13abeta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl- (8CI); MEGxp0_000624; AC1NSTV0; 2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol; SCHEMBL12667453; 2,3,9-Trimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-10-ol; 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)- (9CI); 13a-beta-Berbine, 2,3,9,10-tetramethoxy-13-alpha-methyl- (8CI); ACon1_000349; BRN 0096972; CHEBI:14027; 5-21-06-00173 (Beilstein Handbook Reference); ACon0_001192 |
C22H27NO5 |
385.453 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])c(c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])c2[C@]3([H])OC([H])([H])[H])[C@@]34[H])c4c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041262 |
isoimperatorin |
AJ-19023; Oprea1_655950; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-; NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; Isoimperatorin, analytical standard; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; MCULE-5468436292; Iso-imperatorin; UNII-0ZMV066080; BDBM50242377; ZB010260; BG00617053; BRD-K40367461-001-01-0; ZINC00296185; ACN-035226; HMS2268M21; CS-5801; ACon1_000176; MLS001048978; MLS000574919; API0003033; Q-100533; Oprea1_630212; 4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; Iso Imperatorin; isoimperatorin ; 4-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AN-8401; CTK4J0732; I06-0434; C16976; 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; AB0019796; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; AIDS-071126; SCHEMBL15090959; IGWDEVSBEKYORK-UHFFFAOYSA-N; TR-031434; 482I451; NCGC00180809-01; 482-45-1; DTXSID60197460; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-; 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK-23906; Isoimperatorin; AC1Q6AY9; KS-00000NN4; MFCD00272155; 0ZMV066080; AC-8047; AX8008744; SMR000156243; CHEMBL448060; HY-N0286; CHEBI:66071; KB-294187; FT-0656369; 10-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; STOCK1N-27740; ZINC296185; N1746; ST24047429; 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; MolPort-001-740-269; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; CI0035; V0302; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-; AIDS071126; 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; AKOS015895143; 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; MEGxp0_000090; AC1L28ZP |
C17H16O3 |
268.307 |
c12c(c([H])c([H])o1)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(OC(=C([H])[H])C([H])=C3[H])c2O[H] |
|
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] |
|
TCMBANKIN041272 |
stearic acid |
4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 |
C18H36O2 |
284 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
O |
|
TCMBANKIN041280 |
Licochalcone B |
licochalcone b; AIDS095932; 3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 58749-23-8; (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)propenone; (E)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-(3,4-Dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone; 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; AIDS-095932 |
|
286.279 |
|
|
TCMBANKIN041369 |
7-acetoxy-8-hydroxy-9-isobutyryloxythymol |
|
C16H22O6 |
310.342 |
c1([H])c(C([H])([H])OC(C([H])([H])[H])=O)c([H])c(O[H])c([C@@](O[H])(C([H])([H])[H])C([H])([H])OC(C([H])(C([H])([H])[H])C([H])([H])[H])=O)c1[H] |
|
TCMBANKIN041371 |
Fumaricine |
(1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- |
C21H23NO5 |
369.411 |
C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041379 |
1-ketoisocryptotanshinone |
1-keto-isocryptotanshinone |
C19H18O4 |
310.37 |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4=O)(C)C |
|
TCMBANKIN041394 |
Przewaquinone F |
|
|
312.3 g/mol |
|
|
TCMBANKIN041402 |
chlorogenic acid |
3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
C16H18O9 |
354.309 |
C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
|
TCMBANKIN041417 |
piperkadsin B |
|
C24H30O7 |
430 |
c1(OC([H])([H])[H])c([H])c([C@]([H])(OC(C([H])([H])[H])=O)[C@@]([H])(C([H])([H])[H])[C@]2(C([H])([H])C([H])=C([H])[H])C(=O)C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])c([H])c([H])c1OC([H])([H])[
H] |
|
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 |
|
TCMBANKIN041639 |
flavone |
GTPL409; HMS3604K19; 2-phenyl-4H-benzopyran-4-one; Flavone (VAN); 5-17-10-00552 (Beilstein Handbook Reference); 2-Phenylchrome; MEGxp0_001685; MLS002473400; NCGC00090962-04; SMR000112315; MLS002177804; MCULE-3856134714; 4H-1-Benzopyran-4-one, 2-phenyl-; BDBM50028962; FT-0603450; ZX-AFC000856; Flavone (VAN) (8CI); Phenylchromone; C10043; AIDS-051918; IDI1_016673; DSSTox_CID_2048; D08RVN; 2-Phenyl-chromen-4-one; VHBFFQKBGNRLFZ-UHFFFAOYSA-N; 46370_FLUKA; InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10; KS-000016AQ; Maybridge3_005286; ACM525826; AC1L1VPW; SBB072435; Asmacoril; CU-00000000060-1; 2-Phenylbenzopyran-4-one; I14-21772; S2V45N7G3B; BRD-K86741145-001-01-5; CBiol_000263; T667; HMS2269O06; KB-232056; ACon1_000055; MFCD00006825; F0015; Flavon; UNII-S2V45N7G3B; BIF1002; HMS1446A06; DB-052142; 2-PHENYLCHRONONE; 2-PHENYL- GAMMA-BENZOPYRONE; KB-174113; ZB002210; ZINC57674; A-8354; 2-Phenyl-4H-chromen-4-one #; 2-Phenylbenzo[b]pyran-4-one; ANW-75635; NCGC00090962-03; 46380_FLUKA; AIDS051918; CTK1G8239; NSC 19028; ZX-AT010673; LMPK12110097; STK164205; DB07776; CC-11825; L001213; TR-018648; ZINC00057674; LS-39844; CCRIS 4288; 4hki; CHEMBL275638; NCGC00090962-05; C15608; 2-phenyl-1-benzopyran-4-one; 2-Phenyl-4-benzopyron; 54849-74-0; F-2700; DSSTox_GSID_22048; CAS-525-82-6; Cromarile; 2-phenyl-4H-chromen-4-one; NSC-19028; BRN 0157598; SC-65147; NCGC00090962-06; bmse000945; AK324531; Cromaril; SCHEMBL18879; C-12398; F2003_SIAL; Flavone, Flavone; 2-Phenyl-4H-benzopyran-4-one; 2-Phenyl-4H-1-benzopyran-4-one; ICCB2_000263; 2-Phenyl-gamma-benzopyrone; 2-phenylchromen-4-one; 6CC153EB-39A6-42FC-BE96-C8BF1D585E27; NSC19028; DSSTox_RID_76467; Tox21_400059; OR1156; 2-Phenyl-4-chromone; DTXSID2022048; EINECS 208-383-8; 2-Phenyl-4H-chromen-4-one; Tox21_202987; ST45028199; FLAVONE; D0S0RK; A829155; FLN; 525-82-6; NCGC00090962-02; Chaste tree berry Extract; 11091-19-3; 2-phenyl-4-chromenone; 2-Phenyl-4H-chromen-4-on; CCG-214679; VA10914; 525F826; 2-Phenyl-.gamma.-benzopyrone; 2-Phenylchromone; Flavone; Chromocor; 4h-1-benzopyran-4-one,2-phenyl-; KB-191942; CHEBI:42491; ACMC-20aj2d; AKOS000603572; BG01525318; NCGC00168837-01; PubChem9849; Vitex agnus-castus; MLS002638647; BIDD:ER0515; ST5308279; MolPort-001-016-955; NCGC00090962-01; 66585-04-4; NCGC00260532-01 |
C15H10O2 |
222.24 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
|
TCMBANKIN041666 |
Machilin D |
machilin d |
C20H24O5 |
344.4 |
CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)O)OC)O)OC |
|
TCMBANKIN041729 |
cepharadione B |
AC1L4O5Q; AC1Q6OMT; 55610-02-1; 1,2-Dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5 -dione; DTXSID70204159; cepharadione b; AIDS-224743; 1,2-dimethoxy-6-methyl-4h -dibenzo[ de,g]quinoline-4,5( 6h)-dione; 15,16-DIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2,4,6,8,13,15-HEPTAENE-11,12-DIONE; CHEMBL396085; CTK5A3881; 1,2-dimethoxy-6-methyl-4h-dibenzo[de,g]quinoline-4,5(6h)-dione; AIDS224743; MolPort-044-754-189; 1,2-Dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-4,5(6H)-dione, 9CI; 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione; 15,16-DIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE-11,12-DIONE; 4H-Dibenzo[de,g]quinoline-4,5(6H)-dione, 1,2-dimethoxy-6-methyl- |
C19H15NO4 |
321.327 |
c1(OC([H])([H])[H])c([H])c2c(c(N(C([H])([H])[H])C(=O)C2=O)c([H])c(c([H])c([H])c([H])c3[H])c34)c4c1OC([H])([H])[H] |
|
TCMBANKIN041766 |
Shikonofuran C |
Shikonofuran C; 85022-64-6; shikonofuran c; AC1NT0DR; BDBM50363752; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbutanoate; CHEMBL1946217 |
|
358.43 |
|
|
TCMBANKIN041781 |
lotusine |
AC1NRX67; Lotusine; CHEBI:81190; (-)-Lotusine; 6871-67-6; ZINC14439259; Isoquinolinium, 1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-, (1R)-; C17567; (1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol; D-(-)-Lotusine |
C19H24NO3 |
315 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C([H])([H])c3c([H])c([H])c(O[H])c([H])c3[H])c2c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041795 |
bisdehydrostemoninine |
|
C22H27NO5 |
385 |
[C@@]12([H])[C@]([H])(O[C@@]3(OC(=O)C(C([H])([H])[H])=C3[H])[C@@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])n4c2c([H])c([H])c4[C@]5([H])C([H])([H])[C@]([H])(C([H])([H])[H])C(=O)O
5 |
|
TCMBANKIN041829 |
poncimarin |
|
C19H22O5 |
330.38 |
CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OCC4C(O4)(C)C)C |
|
TCMBANKIN041848 |
piperlactam S |
piperlactam s |
C17H13NO4 |
295.289 |
c1([H])c([H])c([H])c([H])c(c([H])c2c(c(C(=O)N2OC([H])([H])[H])c([H])c(O[H])c3OC([H])([H])[H])c34)c14 |
|
TCMBANKIN041910 |
Artepillin A |
artepillin a |
|
316.4 g/mol |
|
|
TCMBANKIN041929 |
ginkgolide a |
AC-8034; 15291-75-5; AKOS015963408; Ginkgolide A; ginkgolide A |
C20H24O9 |
408.4 |
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O |
|
TCMBANKIN041934 |
Pipercide |
|
|
355.47 |
|
|
TCMBANKIN041935 |
linderalactone |
ST24035668; LWCKQMHMTSRRAA-QGQQYVBWSA-N; C17425; AKOS015897170; I07-0309; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)-(+)-; Linderalactone; MCULE-1529191421; 6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, [R-(E)]-; MolPort-005-945-802; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4R,10E)-; 857366-20-2; 728L610; 728-61-0; AK103578; isolinderalactone; (R,E)-3,11-Dimethyl-8,9-dihydro-4H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6(12H)-one; 32663-41-5; ZINC13532008; NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (R-(E))-; CHEMBL1080239; (1R,8E)-3,8-DIMETHYL-5,14-DIOXATRICYCLO[10.2.1.0(2),?]PENTADECA-2(6),3,8,12(15)-TETRAEN-13-ONE; NP-013325; AJ-64075; CHEBI:69074; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6alpha-hydroxy-, gamma-lactone, (E)-(+)-; 1312AC |
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN041947 |
toralactone |
9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI; 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one; 9,10-dihydroxy-7-methoxy-3-methyl-benzo[g]isochromen-1-one; toralactone; C17673; AC1NT11O; CHEBI:78029; 41743-74-2; 9,10-dihydroxy-7-methoxy-3-methyl-1-benzo[g]isochromenone; 9,10-dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one; DTXSID20194576; 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one |
C15H12*O5 |
272.253 |
[*].c1([H])c(O[H])c(c(O[H])c(C(=O)OC(C([H])([H])[H])=C2[H])c2c3[H])c3c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041956 |
formyltanshinone |
|
|
290.28 |
|
|
TCMBANKIN041972 |
1,7-Dihydroxy-3,9-dimethoxy pterocarpene |
1,7-dihydroxy-3,9-dimethoxy pterocarpene; 3,9-dimethoxy-6H-benzofurano[3,2-c]chromene-1,7-diol; 3,9-dimethoxy-6H-[1]benzoxolo[3,2-c]chromene-1,7-diol |
|
314.31 |
|
|
TCMBANKIN041997 |
Anacaridic acid D |
anacaridic acid d |
C22H30O3 |
342.472 |
c1(O[H])c(C(=O)O[H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])\C([H])=C([H])\C([H])([H])C([H])=C([H])[H])c([H])c([H])c1[H] |
|
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 |
|
TCMBANKIN042159 |
pteryxin |
STOCK1N-52523; C09307; AIDS006515; [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; ZINC04081606; 13161-75-6; 17944-23-9; (Z)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; AIDS-006515; pteryxin; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-; 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))- |
C21H22O7 |
386.395 |
c12c(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(C([H])([H])[H])=O)[C@]1([H])OC(\C(=C(/C([H])([H])[H])[H])\C([H])([H])[H])=O)c([H])c([H])c3c2OC(=O)C([H])=C3[H] |
|
TCMBANKIN042164 |
sanggenol A |
sanggenol a |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
TCMBANKIN042189 |
Noryuziphine |
|
|
269.37 |
|
|
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 |
|
TCMBANKIN042326 |
2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chromone |
2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chro-mone |
C24H36O4 |
388.6 |
|
|
TCMBANKIN042372 |
Preskimmianine |
|
|
303.35 |
|
|
TCMBANKIN042439 |
Icaride A2 |
icaride a2 |
|
436.5 |
COC1=CC(=CC(=C1O)OC)C2C(C(C(O2)C3=CC(=C(C(=C3)OC)O)OC)CO)CO |
|
TCMBANKIN042452 |
piperlonguminine |
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5950-12-9; Piperlonguminine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide; NSC125178; 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide |
C16H19NO3 |
273.33 g/mol |
CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN042478 |
tetrahydroreticuline |
|
C19H22NO4 |
329 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])=C2C([H])([H])c3c([H])c(O[H])c(OC([H])([H])[H])c([H])c3[H])c2c([H])c1O[H] |
|
TCMBANKIN042527 |
Dehydropipernonaline |
|
|
339.43 |
|
|
TCMBANKIN042642 |
ardisianone A |
|
C22H34O3 |
347 |
C1(OC([H])([H])[H])=C([H])C(=O)C([H])=C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])/C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H
])C1=O |
|
TCMBANKIN042684 |
GA120 |
|
C19H21O4- |
313.4 g/mol |
CC12CC=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)[O-])OC2=O |
|
TCMBANKIN042726 |
Isokobusone |
(1S,5R,9R)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one; AC1OF35U |
|
222.32 g/mol |
|
|
TCMBANKIN042731 |
Hemiariensin |
|
|
400.42 |
|
|
TCMBANKIN042748 |
kadsurin B |
|
C21H26O6 |
374.4 g/mol |
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
|
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] |
|
TCMBANKIN042788 |
Neryl propionate |
3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol; FAS39QE02Z; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; DB-040664; ZINC1851030; LS-2982; 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-; CJ-30572; UNII-FAS39QE02Z; cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate; cis-3,7-Dimethyl-2,6-octadien-1-yl propionate; EINECS 203-345-7; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #; (Z)-3,7-Dimethyl-2,6-octadienyl propanoate; AKOS015901976; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-; I14-13371; 105-91-9; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; FEMA No. 2777; Propionic acid, neryl ester; Nerylpropionate; SCHEMBL1532465; (Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate; 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-; Neryl propionate (natural); nerylpropionate; [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; propanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol; neryl propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-; BYCHQEILESTMQU-XFXZXTDPSA-N; 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol; (Z)-3,7-Dimethyl-2,6-octadienyl propionate; 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-; Neryl propanoate; FEMA 2777; LMFA07010976; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; AC1NSMOC |
|
210.31 |
|
|
TCMBANKIN042794 |
alisol f |
|
C30H48O5 |
488.7 g/mol |
CC1CC(OC2C1=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(C2)C)C)(C)C)C)O)C(C(C)(C)O)O |
|
TCMBANKIN042858 |
Luteolin |
Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone |
C15H10O6 |
286.236 |
c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
|
TCMBANKIN042874 |
baimuxinal |
CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal |
C15H24O2 |
236.35 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
|
TCMBANKIN042881 |
Mono-O-methylwightin |
2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one; 2-(2,3-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one; LMPK12111317; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4-chromenone; mono-o-methylwightin; AC1NSYRB; 5-hydroxy-7,8,2',3'-tetramethoxyflavone; SCHEMBL15572930; 5-Hydroxy-2',3',7,8-tetramethoxyflavone; 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-chromen-4-one |
C19H18O7 |
358.3 g/mol |
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
|
TCMBANKIN043002 |
9-O-angeloyl derivative |
|
|
278.38 |
|
|
TCMBANKIN043024 |
ivangustin |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(CC2(C(CC1)O)C)OC(=O)C3=C |
|
TCMBANKIN043056 |
2,3-didehydro GA69 |
|
|
330.41 |
|
|
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] |
|
TCMBANKIN043109 |
calodendrolide |
|
C15H16O4 |
260.285 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([C@]([H])(O3)C(=O)O[C@@]2([H])c4c([H])c([H])oc4[H])C(C([H])([H])[H])=C1[H] |
|
TCMBANKIN043133 |
Echinatin |
|
|
270.28 |
|
|
TCMBANKIN043244 |
2,3-didehydro GA70 |
|
C19H22O5 |
330.375 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])C([H])=C1[H] |
|
TCMBANKIN043268 |
3-O-feruloylquinic acid |
3-o-feruloylquinicacid; 3-o-feruloylquinic acid |
C17H20O9 |
368.335 |
[C@@]1([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@@](C(=O)O[H])(O[H])C([H])([H])[C@@]1([H])OC(=O)\C([H])=C([H])\c(c([H])c2[H])c([H])c(OC([H])([H])[H])c2O[H] |
|
TCMBANKIN043270 |
p-Coumaric acid |
CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 |
C9H8O3 |
164.158 |
c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
|
TCMBANKIN043278 |
Ombuin |
NSC 675952; BDBM50240614; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; kaempferol-7,4'-dimethylether; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromone; CHEMBL75589; FLAVONE, 4',7-DIMETHOXY-3,3',5-TRIHYDROXY-; Quercetin 4',7-dimethyl ether; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one; Quercetin-7,4'-Dimethyl Ether; CHEBI:67493; AC1NSZAJ; DTXSID00200942; MolPort-039-338-131; LS-68977; Ambap529-40-8; Z3K3F0YR3W; CJ-26550; AIDS-071739; NSC-675952; NSC675952; ombuin; CTK8J0348; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one; OMBUINE; 3,5,3'-Trihydroxy-7,4'-dimethoxyflavone; 4',7-Dimethoxy-3,3',5-trihydroxyflavone; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-; 529-40-8; ZINC1645590; 4',7-Dimethylquercetin; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-chromenone; LMPK12112652; 5-18-05-00498 (Beilstein Handbook Reference); quercetin 7,4'-dimethyl ether; UNII-Z3K3F0YR3W; 7,4'-dimethylquercetin; AIDS071739; BRN 0338215; 4'',7-dimethylquercetin; ST24041236; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromen-4-one; quercetin-7,4''-dimethyl ether; 7,4'-Di-O-methylquercetin; 3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chromen-4-one; SCHEMBL1252211 |
C17H14O7 |
330.29 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O |
|
TCMBANKIN043304 |
Croweacin |
croweacin; 4-Methoxy-5-(2-propen-1-yl)-1,3-benzodioxole; Benzene, 1-allyl-2-methoxy-3,4-(methylenedioxy)-; 5-allyl-4-methoxy-1,3-benzodioxole; UNII-WS97V62VOQ; 484-34-4; WS97V62VOQ; SCHEMBL2416220; 4-methoxy-5-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-5-(2-propenyl)-; 1,3-Benzodioxole, 4-methoxy-5-(2-propen-1-yl)-; AC1NSTXG |
C11H12O3 |
192.21 |
COC1=C(C=CC2=C1OCO2)CC=C |
|
TCMBANKIN043379 |
Menisporphine |
menisporphine; 83287-02-9; 5,10,11-TRIMETHOXY-16-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9(17),10,12,14-OCTAEN-8-ONE; BRN 5111080; LS-61247; DTXSID20232245; AC1L43II; CCRIS 3818; 7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy- |
|
321.33 |
|
|
TCMBANKIN043447 |
8-Prenylated eriodictyol |
|
|
356.4 |
|
|
TCMBANKIN043458 |
Isotrifoliol |
529JR7020Z; 3,9-dihydroxy-1-methoxy-benzofurano[3,2-c]chromen-6-one; 3,9-Dihydroxy-1-methoxycoumestan; 3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one; 3,9-dihydroxy-1-methoxy-[1]benzoxolo[3,2-c]chromen-6-one; 329319-08-6; UNII-529JR7020Z; 6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-; AC1NSX6I; 3,9-dihydroxy-1-methoxy-6-benzofurano[3,2-c]chromenone; 3,9-dihydroxy-1-methoxy-6H-benzofuro[3,2-c]chromen-6-one; 5,14-dihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0;{2,7}.0;{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one; SCHEMBL15383648; isotrifoliol |
C16H10O6 |
298.25 g/mol |
COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O |
|
TCMBANKIN043470 |
Irigenin |
548-76-5; CHEMBL487013; 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone; MFCD00597047; C17957; MCULE-8768527753; CCG-214382; AK554317; 6O4NX37350; SR-05000002617; DTXSID90203285; 5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone; Irigenin; SCHEMBL554864; EINECS 208-958-3; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-; NP-008092; UNII-6O4NX37350; 9569AF; SR-05000002617-1; AC1NUZ0N; CTK8J1984; AKOS030632868; MolPort-005-945-072; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromone; ZINC5732527; CHEBI:81409; LMPK12050417; 5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavone; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one; KS-00000TYP; 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-chromenone |
|
360.315 |
|
|
TCMBANKIN043496 |
Sagittatoside A |
|
C33H40O15 |
677 |
c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]
4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H] |
|
TCMBANKIN043553 |
1,6-dihydroxy-2,4-dimethoxyanthraquinone |
142878-33-9; 1,6-Ddma; 9,10-Anthracenedione, 1,6-dihydroxy-2,4-dimethoxy-; 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxy-9,10-anthraquinone; 1,6-Dihydroxy-2,4-dimethoxyanthraquinone V; 1,6-dihydroxy-2,4-dimethoxy-anthracene-9,10-dione |
C16H12O6 |
300.263 |
c1(O[H])c(C(=O)c(c([H])c([H])c(O[H])c2[H])c2C3=O)c3c(OC([H])([H])[H])c([H])c1OC([H])([H])[H] |
|
TCMBANKIN043576 |
Myristargenol B |
myristargenol b |
|
346.42 |
|
|
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] |
|
TCMBANKIN043666 |
phellodendrine |
|
C20H24NO4 |
343 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])[N@H](C([H])([H])[H])(C([H])([H])c(c([H])c(OC([H])([H])[H])c(O[H])c2[H])c2C3([H])[H])[C@@]34[H])c4c([H])c1O[H] |
|
TCMBANKIN043673 |
ikarisoside C |
ikarisoside c |
C38H48O19 |
809 |
[C@]1(O[H])([H])[C@@](O[C@]2([H])[C@]([H])(O[H])[C@](O[H])([H])[C@@](C([H])([H])[H])([H])O[C@]2(OC(C(=O)c3c(c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[C@@]4([H])[C@@](O[H])([H])[C@](O[
H])([H])[C@@](O[H])([H])[C@](C([H])([H])O[H])([H])C4([H])[H])c([H])c3O[H])O5)=C5c(c([H])c6[H])c([H])c([H])c6O[H])[H])([H])O[C@@](O[H])([H])[C@](O[H])([H])[C@@]1(O[H])[H] |
|
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 |
|
|
TCMBANKIN043795 |
Gancaonin A |
5,7-Dihydroxy-4'-methoxy-6-prenylisoflavone; LMPK12050225; SCHEMBL572123; AC1NSVNM; 27762-99-8; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromone; gancaonin a; 5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone |
C21H20O5 |
352.38 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)OC)O)C |
|
TCMBANKIN043806 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN043884 |
Licoisoflavone |
66056-19-7; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one; 3-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-1-benzopyran-4-one; licoisoflavone; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromenone; Licoisoflavone A; AIDS071699; 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone; C10486; AIDS-071699 |
C20H18O6 |
354.35 |
CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C |
|
TCMBANKIN043931 |
Epimedin B |
epimedin b |
C38H48O19 |
808.78 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O |
|
TCMBANKIN043934 |
ginkgolide B |
AC-8035; BN52021; AKOS015963424; ginkgolide b; 15291-77-7; ginkgolide B |
C20H24O10 |
424 |
[C@]12(O[H])[C@]([H])([C@@]([H])(O[H])[C@]([C@]([H])(OC3=O)C([H])([H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([C@@]45[C@@]([H])(OC(=O)[C@]5([H])O[H])O6)[C@@]136)OC(=O)[C@@]2([H])C(
[H])([H])[H] |
|
TCMBANKIN043953 |
GA97 |
|
C20H28O6 |
364 |
[C@@]1([H])(O[H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]4([H])C(O[H])=O)[C@@]4([H])[C@@](C(O[H])=O)(C([H])([H])[H])C
1([H])[H] |
|
TCMBANKIN043969 |
Tangshenoside II |
AC1NT0OW; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(1-hydroxyprop-2-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol; tangshenoside ii |
C17H24O9 |
372.4 g/mol |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(C=C)O |
|
TCMBANKIN043982 |
Gravacridoneshlirine |
gravacridoneshlirine |
C19H18ClNO4 |
359.804 |
c1([H])c([H])c(N(C([H])([H])[H])c(c(C([H])([H])[C@]([H])([C@](C([H])([H])[H])(Cl)C([H])([H])O[H])O2)c2c([H])c3O[H])c3C4=O)c4c([H])c1[H] |
|
TCMBANKIN043990 |
Hiyodorilactone A |
hiyodorilactone a; MEGxp0_000031; (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester; (E)-4-hydroxy-2-methylol-but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester; [(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; C09475 |
|
420.45 |
|
|
TCMBANKIN044009 |
Cepharadione A |
NSC650435; NCI60_017554; 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 7-methyl-; cepharadione a; 7-Methyl-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline-5,6(7H)-dione; 55610-01-0 |
C18H11NO4 |
305.28 |
CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O |
|
TCMBANKIN044024 |
Artepillin C |
3-(4-Hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-2-propenoic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (E)-; (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acrylic acid; 3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid; 3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acrylic acid; artepillin c; NSC718732; NCI60_040915; (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid; 72944-19-5 |
|
300.392 |
|
|
TCMBANKIN044074 |
saucernetindiol |
|
|
344.44 |
|
|
TCMBANKIN044096 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN044142 |
kushenol A |
BDBM50377945; CHEMBL455679; 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(2S)-; AKOS032948966; Kushenol A; (2S)-5,7-DIHYDROXY-2-(2-HYDROXYPHENYL)-8-[(2R)-5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL]-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; 99217-63-7; kushenol a; ZINC33832185; BG01119345; MolPort-039-337-120; D0O0FA |
C25H28O5 |
408.5 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3O)C(=C)C)C |
|
TCMBANKIN044183 |
irisolidone |
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4-chromenone; Irisolidone; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromone; 2345-17-7; C10471; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one |
C17H14O6 |
314.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O |
|
TCMBANKIN044205 |
dehydroeffusal |
|
C16H12O3 |
252.26 |
|
|
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 |
|
TCMBANKIN044260 |
6-prenylated eriodictyol |
|
|
356.4 |
|
|
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] |
|
TCMBANKIN044305 |
kadsurin A |
DTXSID50331992; ZINC4098815; NP-013719; ZINC04098815; AKOS032948266; MCULE-7963122128; (2S,3R,3aS,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one; kadsurin a; C10640; (2S,3R,3aS,7aR)-5-allyl-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-3,7-dihydro-2H-benzofuran-6-one; 99340-07-5; CHEBI:6098; MolPort-006-668-512; 6(2H)-Benzofuranone,2-(1,3-benzodioxol-5- yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3- methyl-5-(2-propenyl)-,(2S,3R,3aS,7aR)-; CHEMBL37432; AC1L9DKW |
C21H24O6 |
372.412 |
c12c(OC([H])([H])O1)c([H])c([H])c([C@]3([H])[C@@]([H])(C([H])([H])[H])[C@@](OC([H])([H])[H])(C([H])=C(C([H])([H])C([H])=C([H])[H])C(=O)C4([H])[H])[C@]4(OC([H])([H])[H])O3)c2[H] |
|
TCMBANKIN044371 |
Noroxyhydrastinine |
7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; CTK4E7692; VSOJKDUWYQCWFM-UHFFFAOYSA-; noroxyhydrastinine; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline; 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one; NSC 201020; NSC-201020; InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12); 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE; AC1Q6NHB; AK396339; 1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; MolPort-000-881-842; CHEMBL449731; AC1L3H11; NSC201020; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-; ZINC1735195; MLS000546669; 2H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE; HMS2346J04; 21796-14-5; 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolin-5(6H)-one; DTXSID30176207; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one #; SCHEMBL564339; 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI); ACM21796145; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline; VSOJKDUWYQCWFM-UHFFFAOYSA-N; FCH843447; NP-006295; SMR000113841; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; NCGC00247079-01; AKOS000277625 |
|
191.18 |
|
|
TCMBANKIN044408 |
Licoagroisoflavone |
4-Hydroxy-6-(4-hydroxy-phenyl)-2-isopropenyl-2,3-dihydro-furo[3,2-g]chromen-5-one; 4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydro-5H-furo[3,2-g]chromen-5-one; (2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydrofuro[3,2-g]chromen-5-one; licoagroisoflavone; (2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one; 5H-furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R)-; 5''-(S)-5,4'-Dihydroxy-5''-isopropenyl-4'',5''-dihydrofurano[2'',3'':6,7]isoflavone; InChI=1/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s |
|
336.3 g/mol |
|
|
TCMBANKIN044515 |
Kuwanon S |
2-(3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one; 2-[3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl]-5,7-dihydroxy-1-benzopyran-4-one; AIDS095970; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromen-4-one; 100187-67-5; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromone; AIDS-095970; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one; 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4-chromenone |
C25H26O5 |
406.47 |
CC(=CCCC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
TCMBANKIN044577 |
notopterol |
AX8245234; 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one; CHEMBL258939; MFCD23701669; Notopterol; ST24035054; 4CH-024741; AK119818; CHEBI:81136; C17499; MolPort-027-836-284; (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((5-hydroxy-3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-; AC1NSZ7R; BG01067911; BDBM50375219; 88206-46-6; 4-{[(2E)-5-HYDROXY-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE; KB-209244; AKOS016010745; 5[(2E)-5-hydroxy-3,7-dimethyl-2,6-octadienyloxy]psoralen |
C22H24O4 |
352.424 |
c12c(oc([H])c1[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[C@]([H])(C([H])([H])[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
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] |
|
TCMBANKIN044665 |
notoptol |
Notoptol; 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one; AC1NSZ7U; 88206-49-9 |
C21H22O5 |
354.396 |
c12c(oc([H])c1[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])\C([H])=C([H])\C(O[H])(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN044684 |
litcubine |
|
C19H22NO4+ |
328.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)O)OC |
|
TCMBANKIN044686 |
Isoglycyrol |
1H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-10-hydroxy-13-methoxy-3,3-dimethyl-; AIDS095930; AIDS-095930; LMPK12090045; 23013-86-7; isoglycyrol; 10-Hydroxy-13-methoxy-3,3-dimethyl-2,3-dihydro-1H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7-one |
C21H18O6 |
366.36 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
|
TCMBANKIN044725 |
3'-Methyl eriodictyol-7-O-beta-D-glucoside |
3'-methyl eriodictyol-7-o-beta-d-glucoside; AC1NSYDS; 3'-methyl eriodictyol-7-o-β-d-glucoside; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one; 4',5-Dihydroxy-3'-methoxy-7-(beta-D-glucopyranosyloxy)flavanone |
C22H24O11 |
464.4 g/mol |
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O |
|
TCMBANKIN044850 |
Pterosin S |
CHEMBL1864404; HMS2205M21; pterosin s; MLS002473105; 56227-00-0; SMR001397207 |
|
250.29 g/mol |
|
|
TCMBANKIN044853 |
Balanophonin |
|
|
356.4 g/mol |
|
|
TCMBANKIN044866 |
kadsurenone |
(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one; 6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2S-(2alpha,3beta,3aalpha))-; PDSP2_000721; C10638; 2beta-(3,4-Dimethoxyphenyl)-3alpha-methyl-3aalpha-methoxy-5-allyl-2,3,3a,6-tetrahydrobenzofuran-6-one; PDSP1_000731; 95851-37-9; (2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one; Kadsurenone |
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN044902 |
sinapaldehyde glucoside |
|
C17H22O9 |
370.35 |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CC=O |
|
TCMBANKIN045063 |
sativanone |
(3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-chroman-4-one; (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-chromanone; (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxychroman-4-one; sativanone |
C17H16O5 |
300.306 |
c1(O[H])c([H])c(OC([H])([H])[C@]([H])(c2c(OC([H])([H])[H])c([H])c(OC([H])([H])[H])c([H])c2[H])C3=O)c3c([H])c1[H] |
|
TCMBANKIN045067 |
Abrectorin |
|
|
314.29 |
|
|
TCMBANKIN045208 |
gentiatibetine |
26005-36-7; 8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol; Gentiatibetine; Alkaloid GT-A; 8-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-ol; AC1NSVSO; Gentiotibetine |
C9H11NO2 |
165.19 |
CC1=NC=CC2=C1C(OCC2)O |
|
TCMBANKIN045358 |
oroselol |
MCULE-7376606158; AC1Q6A10; 1891-25-4; 8-(1-hydroxy-1-methyl-ethyl)furo[2,3-h]chromen-2-one; 8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one; 8-(2-oxidanylpropan-2-yl)furo[2,3-h]chromen-2-one; 2H-Furo[2,3-h]-1-benzopyran-2-one,8-(1-hydroxy-1-methylethyl)-; CTK4E0041; AKOS030536206; A815584; 8-(2-HYDROXYPROPAN-2-YL)-2H-FURO[2,3-H]CHROMEN-2-ONE; NCGC00385867-01!8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one; AK561872; oroselol; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-hydroxy-1-methylethyl)-; AC1L4NWX; MolPort-019-936-899; 8-(1-hydroxy-1-methylethyl)-2-furo[2,3-h]chromenone; ZINC5357577; 8-(2-hydroxypropan-2-yl)-2-furo[2,3-h][1]benzopyranone |
C14H12O4 |
244.243 |
c1([H])c(c(OC(=O)C([H])=C2[H])c2c([H])c3[H])c3oc1C(C([H])([H])[H])(C([H])([H])[H])O[H] |
|
TCMBANKIN045398 |
isoduartin |
|
C18H20O6 |
332.35 |
COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC |
|
TCMBANKIN045518 |
questin |
questin-2-olate; 1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione; 3774-64-9; 1,6-dihydroxy-8-methoxy-3-methyl-9,10-anthraquinone; emodin-8-methyl ether; 5-hydroxy-4-methoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate; 9,10-Anthracenedione, 1,6-dihydroxy-8-methoxy-3-methyl-; CHEBI:57676; 1,6-dihydroxy-3-methyl-8-(methyloxy)anthracene-9,10-dione; 3,8-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione; 1,6-dihydroxy-8-methoxy-3-methyl-anthracene-9,10-dione; CHEBI:16200; C01448; Questin |
C16H12O5 |
284.263 |
c1([H])c(O[H])c(C(=O)c(c(OC([H])([H])[H])c([H])c(O[H])c2[H])c2C3=O)c3c([H])c1C([H])([H])[H] |
|
TCMBANKIN045577 |
kurarinone |
Kurarinone, >=98% (HPLC); CHEBI:66150; MolPort-039-339-013; SCHEMBL563362; C17446; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one; J3.604.214A; (2S)-(-)-kurarinone; LMPK12140499; kurarinone ; Kurarinone; 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone; ZINC14711629; AKOS030530879; (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one; AK555456; (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one |
C25H28O6 |
424.486 |
c1(O[H])c(C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[H])c(C(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c([H])c2O[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN045633 |
olivil |
(-)-Olivil |
C20H24O7 |
376.4 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
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] |
|
TCMBANKIN045786 |
leojaponin |
|
C20H26O3 |
314.4 g/mol |
CC1=C(C2(CCCC(C2=C(C1=O)O)(C)C)C)CCC3=COC=C3 |
|
TCMBANKIN045787 |
groenlandicine |
dehydrocheilanthifoline |
C19H16NO4 |
323 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])N(=C([H])c(c(OC([H])([H])O2)c2c([H])c3[H])c34)C5=C4[H])c5c([H])c1OC([H])([H])[H] |
|
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 |
|
TCMBANKIN045865 |
12s,16s(r)-dihydroxy-ent-labda-7,13-dien-15,16-olide |
|
|
334.5 |
|
|
TCMBANKIN045871 |
denudanolide c |
|
C21H24O6 |
372.4 g/mol |
CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN045880 |
Mitraphyllic acid |
(1S,4aS,5aS,6R,10aR)-2'-keto-1-methyl-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]-4-carboxylic acid; Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, (19alpha)-; (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]-4-carboxylic acid; (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid; (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid; mitraphyllicacid; 10126-00-8; (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxo-4-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[5,4-f]indolizine-6,3'-indoline]carboxylic acid; mitraphyllic acid |
|
354.4 |
|
|
TCMBANKIN045927 |
inflexinol |
|
C24H34O7 |
434.5 g/mol |
CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3)O)(C)C)OC(=O)C)O)C)C(=O)C2=C |
|
TCMBANKIN045990 |
Lupiwighteone |
lupiwighteone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-prenyl-5,7,4'-trihydroxyisoflavone; 5,7,4'-Trihydroxy-8-(3,3-dimethylallyl)isoflavone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; MEGxp0_000421; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
C20H18O5 |
338.35 |
CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)[O-])C |
|
TCMBANKIN046015 |
saringosterol |
Saringosterol; 24-vinyl-cholest-5-ene-3beta,24-diol; LMST01040167; CHEMBL252366 |
C29H48O2 |
429 |
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@](O[H])(C([
H])=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]34[H])C([H])([H])[C@@]1([H])O[H] |
|
TCMBANKIN046094 |
Oxyterihanine |
|
|
349.36 |
|
|
TCMBANKIN046148 |
glabrene |
8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol; 8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-chromen-5-ol; 2',2'-Dimethyl-2H,2'H-(3,8')bi(1-benzopyranyl)-7,5'-diol; glabrene; 8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-5-chromenol; 2',2'-Dimethyl-2H,2'H-[3,8']bi[1-benzopyranyl]-7,5'-diol; AIDS095911; AIDS-095911; 60008-03-9 |
C20H20O4 |
324.37 |
c1(O[H])c([H])c(OC([H])([H])C(c2c([H])c([H])c(OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])[H])c3c2O[H])=C4[H])c4c([H])c1[H] |
|
TCMBANKIN046156 |
przewaquinone c |
|
C18H16O4 |
296.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
|
TCMBANKIN046204 |
7-O-Methyleriodictyol |
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one; 7-Methoxy-5,3',4'-trihydroxyflavanone; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromanone; 51857-11-5; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-; ZINC01081535; 7-o-methyleriodictyol |
C16H14O6 |
302.28 |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN046229 |
deltoin |
AC1NSUCJ; 2-[2-[(Z)-2-methyl-3-oxobut-1-enoxy]propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; deltoin |
C19H20O5 |
328.359 |
c12c(O[C@]([H])(C(C([H])([H])[H])(OC(\C(=C([H])\C([H])([H])[H])\C([H])([H])[H])=O)C([H])([H])[H])C1([H])[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2[H] |
|
TCMBANKIN046272 |
14-Deoxy-11,12-didehydroandrographolide |
MLS001143514; CHEMBL1326087; 4-[(E)-2-[(1R,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]vinyl]-2H-furan-5-one; SMR001215698; 3-[(E)-2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)-6alpha-hydroxydecalin-1alpha-yl]vinyl]furan-2(5H)-one; 14-deoxy-11,12-didehydroandrographolide; SCHEMBL13583643; HMS2270M24 |
C20H28O4 |
332.43 |
CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O |
|
TCMBANKIN046295 |
Xambioona |
|
|
388.5 g/mol |
|
|
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] |
|
TCMBANKIN046356 |
Inflacoumarin A |
7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2-chromenone; inflacoumarin a; 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)coumarin; 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-2-one |
|
322.35 |
|
|
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-] |
|
TCMBANKIN046419 |
7-Methoxy-2-methyl isoflavone |
7-methoxy-2-methyl-3-phenylchromen-4-one; MLS001048849; Oprea1_185553; 7-methoxy-2-methyl-3-phenyl-chromone; ZINC00520945; 7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one; MLS000556973; AIDS-130588; 7-methoxy-2-methyl isoflavone; 7-Methoxy-2-methyl-3-phenyl-chromen-4-one; SMR000148090; ST5071001; Oprea1_144261; AIDS130588; 7-methoxy-2-methyl-3-phenyl-4-chromenone; NSC605906 |
|
266.29 |
|
|
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] |
|
TCMBANKIN046429 |
forsythialan B |
|
C21H24O7 |
388.411 |
[C@]1(C([H])([H])O[H])([H])[C@](C(c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])=O)([H])C([H])([H])O[C@]1([H])c3c([H])c(OC([H])([H])[H])c([H])c(O[H])c3[H] |
|
TCMBANKIN046547 |
worenine |
38763-29-0; Worenin; Woreninechloride; UNII-STF4A6F4EH; C17083; 24-METHYL-5,7,18,20-TETRAOXA-13??-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)(1)]TETRACOSA-1(24),2,4(8),9,13,15,17(21),22-OCTAEN-13-YLIUM; CHEBI:80913; SCHEMBL2584351; AK608329; Worenine cation; FT-0701381; MolPort-039-339-206; AKOS030573603; ZINC12153738; Bis(1,3)benzodioxolo(5,6-a:5',6'-g)quinolizinium, 5,6-dihydro-14-methyl-; STF4A6F4EH; Worenine ion; 5,6-Dihydro-14-methylbis(1,3)benzodioxolo(5,6-a:5,6-g)quinolizinium; Worenine [MI]; Worenine |
C20H16NO4+ |
334.3 g/mol |
CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4 |
|
TCMBANKIN046658 |
glycitein |
C14536; 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; ST5331727; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; 40957-83-3; 7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one |
C16H12O5 |
284.263 |
C([H])([H])([H])Oc1c([H])c(C(C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)=O)c3c([H])c1O[H] |
|
TCMBANKIN046676 |
Pellitorin |
AIDS210374; 2,4-Decadienamide, N-(2-methylpropyl)-; (2E,4E)-N-isobutyldeca-2,4-dienamide; 4-04-00-00636 (Beilstein Handbook Reference); N-Isobutyldeca-trans-2-trans-4-dienamide; (E,E)-N-Isobutyl-2,4-decadienamide; 2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-; AI3-19560; Pellitorine; trans-Pellitorin; (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide; (E,E)-N-(2-Methylpropyl)-2,4-decadienamide; 2,4-DECADIENAMIDE, N-ISOBUTYL-, (E,E)-; MEGxp0_000048; N-(2-Methylpropyl)-2,4-Decadienamide; 2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-; 53608-76-7; BRN 1725967; Pellitorine (6CI); 109-26-2; N-Isobutyldeca-trans-2,trans-4-dienamide; AIDS-210374; 18836-52-7 |
C14H25NO |
223.35 |
CCCCCC=CC=CC(=O)NCC(C)C |
|
TCMBANKIN046679 |
tri-O-methylnorbergenin |
|
C16H20O9 |
356.32 g/mol |
COC1=C(C(=C2C3C(C(C(C(O3)CO)O)O)OC(=O)C2=C1)OC)OC |
|
TCMBANKIN046723 |
melatonin |
|
C13H16N2O2 |
232.28 |
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN046821 |
7,30-dihydroxy-5,40,50-trimethoxyisoflavone |
|
|
346.36 |
|
|
TCMBANKIN046852 |
OBOVATOL |
5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol; NSC364150; 83864-78-2; 5-allyl-3-(4-allylphenoxy)pyrocatechol; obovatol; 1,2-Benzenediol, 5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-; NSC 364150; 5-allyl-3-(4-allylphenoxy)benzene-1,2-diol; 4',5-Diallyl-2,3-dihydroxybiphenyl ether |
C18H18O3 |
282.33 |
C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)CC=C |
|
TCMBANKIN046880 |
Senkyunolide J |
senkyunolide j; senkyunolide-J |
|
226.269 |
|
|
TCMBANKIN046885 |
9-acetoxy-8,10-epoxy-6-hydroxythymol 3-O-angelate |
9-acetoxy-8,10-epoxy-6-hydroxythymol3-o-angelate |
C17H20O6 |
320.37 |
|
|
TCMBANKIN047023 |
GA95 |
|
C19H22O5 |
330.4 g/mol |
CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O |
|
TCMBANKIN047091 |
GA118 |
|
|
348.43 |
|
|
TCMBANKIN047137 |
quercetin 3-O-rhamnopyranosyl |
|
C27H30O16 |
611 |
[C@]1([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@](OC([H])([H])[C@]([H])(O[C@](OC2=C(c3c([H])c(O[H])c(O[H])c([H])c3[H])Oc4c(c(O[H])c([H])c(O[H])c4[H])C2=O)([H])[C@@]([H])(O[H])[C@]5([H])O[
H])[C@]5([H])O[H])([H])[C@]1([H])O[H] |
|
TCMBANKIN047208 |
Sylvatine |
|
|
383.52 |
|
|
TCMBANKIN047231 |
Semilicoisoflavone B |
5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one; 5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-[3,6']bi[1-benzopyranyl]-4-one; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromone; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one; AIDS095919; AIDS-095919; 129280-33-7; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one; semilicoisoflavone b; 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-6-chromenyl)-4-chromenone |
|
352.34 |
|
|
TCMBANKIN047243 |
glyasperin F |
glyasperin f |
C20H18O6 |
354.4 g/mol |
CC1(C=CC2=C(C=CC(=C2O1)C3COC4=CC(=CC(=C4C3=O)O)O)O)C |
|
TCMBANKIN047264 |
Thalidastine |
|
|
338.36 |
|
|
TCMBANKIN047284 |
Fastigilin B |
C09451; [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate; 6995-11-5; NSC176503; FASTIGILIIN B; 6995/11/5; fastigilin b; DTXSID30331778; CHEMBL1213003; CHEBI:4982; AC1L9CH2; 3-methylbut-2-enoic acid [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-2,8-diketo-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[5,6-d]furan-9-yl] ester; 3-methylbut-2-enoic acid [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ester |
C20H26O6 |
362.4 g/mol |
[C@]12([H])[C@@](C([H])([H])[H])(C(=O)C([H])=C1[H])[C@](OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])([H])[C@@]3([H])[C@]([H])(OC(=O)[C@@]3([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]2([H])C([H])([H])[
H] |
|
TCMBANKIN047287 |
Cyclocurcumin |
|
C21H22O6 |
370.396 |
c1(OC([H])([H])[H])c([H])c([H])c(C([H])([H])C([H])([H])C2=C([H])C(=O)C([H])([H])[C@@]([H])(c3c([H])c([H])c(OC([H])([H])[H])c(O[H])c3[H])O2)c([H])c1O[H] |
|
TCMBANKIN047320 |
1-Hydroxy-2,3,4,7-tetramethoxyxanthone |
1-hydroxy-2,3,4,7-tetramethoxyxanthone; 1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one; Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-; 14103-09-4; 1-hydroxy-2,3,4,7-tetramethoxy-9-xanthenone; 1-hydroxy-2,3,4,7-tetramethoxy-xanthone; 1-Hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one; 9H-Xanthen-9-one, 1-hydroxy-2,3,4,7-tetramethoxy-; 1-hydroxy-2,3,4,7-tetramethoxy-xanthen-9-one; Xanthone, 1-hydroxy-2,3,4,7-tetramethoxy- |
|
332.3 |
|
|
TCMBANKIN047434 |
suberosin |
581-31-7; Suberosin; CHEBI:69041; AC1Q69VY; MEGxp0_001424; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); AIDS-011993; 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; suberosin ; NSC31869; 4CN-1207; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); ZINC1664037; 7-methoxy-6-prenylcoumarin; BDBM50361375; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NSC-31869; CHEMBL1928409; SCHEMBL6273982; RSZDAYHEZSRVHS-UHFFFAOYSA-N; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; ACon1_000574; 7-methoxy-6-(3-methylbut-2-enyl)-2-chromenone; AIDS011993; 7-methoxy-6-(3-methylbut-2-enyl)coumarin; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NP-006524; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; AKOS028108564; MCULE-9562140872; NCI60_002737; CTK5A7890; NSC 31869; MolPort-005-944-812; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; DTXSID20206820; AC1L29TY; SUBEROSIN |
C15H16O3 |
244.286 |
c1(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c([H])c1OC([H])([H])[H] |
|
TCMBANKIN047474 |
Kvannin |
8-(1-Methylethenyl)-2H-furo(2,3-h)-1-benzopyran-2-one; 1760-27-6; 8-isopropenylfuro[2,3-h]chromen-2-one; 2H-FURO[2,3-H]-1-BENZOPYRAN-2-ONE, 8-(1-METHYLETHENYL)-; 8-isopropenyl-2-furo[2,3-h]chromenone; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-methylethenyl)-; 8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one; 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-isopropenyl-; kvannin |
C14H10O3 |
226.23 |
CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
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] |
|
TCMBANKIN047514 |
beta-acetoxyisovalerylshikonin |
|
C23H26O8 |
430.448 |
c1([H])c(O[H])c(C(=O)C([H])=C([C@]([H])(OC(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])OC(=O)C([H])([H])[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C2=O)c2c(O[H])c1[H] |
|
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 |
|
TCMBANKIN047567 |
vitetrifolin C |
AC1NSSVP; [(4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-yl] acetate |
C22H32O4 |
360.487 |
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]2(O[H])C([H])([H])C([H])([H])c3c([H])oc([H])c3[H])C(C([H])([H])[H])(C([H])([H])[H])C1
([H])[H] |
|
TCMBANKIN047636 |
tanshinol A |
6-(hydroxymethyl)-1-methyl-naphtho[1,2-g][1]benzoxole-10,11-dione; 6-(HYDROXYMETHYL)-14-METHYL-12-OXATETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-1(10),2(7),3,5,8,11(15),13-HEPTAENE-16,17-DIONE; 1-methyl-6-methylol-naphtho[1,2-g]benzofuran-10,11-quinone; 189290-28-6; tanshinol a; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione; AC1NT0PB; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g]benzofuran-10,11-dione; 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzoxole-10,11-dione; 6-(hydroxymethyl)-1-methyl-naphtho[1,2-g]benzofuran-10,11-dione |
C18H12O4 |
292.285 |
c1([H])c([H])c(c(C(=O)C(=O)c(c(C([H])([H])[H])c([H])o2)c23)c3c([H])c4[H])c4c(C([H])([H])O[H])c1[H] |
|
TCMBANKIN047682 |
Gancaonin G |
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-4-chromenone; AIDS095920; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one; 126716-34-5; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromone; gancaonin g; AIDS-095920; 5-Hydroxy-3-(4-hydroxy-phenyl)-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one |
C21H20O5 |
352.38 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC)C |
|
TCMBANKIN047736 |
(3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone |
(3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-tr ihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one; (3r)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3R)-4'-methoxy-2',3,7-trihydroxyisoflavanone; (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromanone |
C16H14O6 |
302.28 g/mol |
COC1=CC(=C(C=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O |
|
TCMBANKIN047778 |
prolithospermic acid |
|
C18H14O8 |
358.299 |
c1(O[H])c([H])c([H])c([C@]2([H])[C@@]([H])(C(O[H])=O)c3c(c(O[H])c([H])c([H])c3\C([H])=C([H])\C(=O)O[H])O2)c([H])c1O[H] |
|
TCMBANKIN047857 |
Glyasperin B |
glyasperin b |
|
370.4 |
|
|
TCMBANKIN047925 |
Helioscopinolide C |
helioscopinolide c |
|
330.42 |
|
|
TCMBANKIN047970 |
14-deoxyandrographolide |
14-deoxyandrographolide-19-β-D-glucoside_qt; 14-deoxy-andrographolide |
C20H30O4 |
334.45 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])C([H])([H])C2=C([H])C([H])([H])OC2=O)C(=C([H])[H])C([H])([H])C3([H])[H])[C@@]3([H])[C@](C([H])([H])[H])(C([H])([H])O[H])[C@]1([H])O[H] |
|
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] |
|
TCMBANKIN048196 |
Hancinone C |
hancinone c |
|
400.46 |
|
|
TCMBANKIN048208 |
violanone |
|
C17H16O6 |
316.3 g/mol |
COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)O |
|
TCMBANKIN048218 |
fraxetin |
ZINC00113309; NCGC00096046-01; AIDS224554; SCHEMBL43472; ST24045548; KBio3_002724; BSPBio_003224; SMR000112323; V1540; Coumarin, 7,8-dihydroxy-6-methoxy; AJ-11417; UNII-CD3GD44O3K; CD3GD44O3K; C09265; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one; Spectrum_001507; STOCK1N-06249; 7,8-dihydroxy-6-methoxy-2-chromenone; CTK8E5461; MCULE-2693568829; AC1NRV6E; InChI=1/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H; 7,8-Dihydroxy-6-methoxy-chromen-2-one; MFCD00006873; AKOS000277991; Spectrum4_001686; CHEBI:5169; 7,8-Dihydroxy-6-methoxy-2-benzopyrone; 574-84-5; N1765; KSC-11-207-12; 7,8-dihydroxy-6-methoxychromen-2-one; Fraxetin; 7,8-Dihydroxy-6-methoxycoumarin, 98%; CC-23048; SR-05000002449-1; NCGC00169075-01; BG01517128; 254916_ALDRICH; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one #; ZINC113309; I14-19210; SR-05000002449; ZB003792; ACon0_001071; AX8110148; Q-100662; EINECS 209-376-2; Spectrum3_001842; MLS002207123; AK114503; KBio2_007123; NCGC00096046-02; KBio2_004555; SpecPlus_000477; 7,8-dihydroxy-6-methoxy-chromen-2-one; ST024715; KBio2_001987; KBio1_001517; CCG-38759; NCGC00017270-03; Spectrum2_001639; 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-; ACon1_000442; SC-65962; AN-46013; BG00604311; Spectrum5_000332; Oprea1_735469; KBioSS_001987; MolPort-001-683-945; KBioGR_001952; 574F845; 7,8-dihydroxy-6-methoxy-coumarin; NCGC00169075-02; KUC106681N; SPECTRUM1504069; SPBio_001737; DB-050316; TR-020064; AC1Q4F2E; DTXSID00205992; NCGC00017270-05; CHEMBL54909; BDBM50206215; C-30832; DivK1c_006573; AIDS-224554; Fraxetin, analytical standard; FT-0632418; 4CN-1003; NCGC00017270-02; BRD-K76587808-001-03-8; MEGxp0_000506; NCGC00017270-01; TNP00177; HAVWRBANWNTOJX-UHFFFAOYSA-N; 7,8-Dihydroxy-6-methoxycoumarin; NCGC00017270-04; Coumarin, 7,8-dihydroxy-6-methoxy-; KB-249406 |
C10H8O5 |
208.168 |
c1(OC([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c(O[H])c1O[H] |
|
TCMBANKIN048265 |
cnidilin |
9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; cnidilin ; cnidilin; 9-methoxy-4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone |
C17H16O5 |
300.306 |
c12c(C([H])=C([H])C(=O)O1)c(OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(oc([H])c3[H])c2OC([H])([H])[H] |
|
TCMBANKIN048277 |
wallichinine |
|
C22H26O5 |
370.439 |
C1(=O)C([H])=C(OC([H])([H])[H])[C@@](\C(\C([H])([H])[H])=C([H])\c2c([H])c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2[H])(OC([H])([H])[H])C([H])=C1C([H])([H])C([H])=C([H])[H] |
|
TCMBANKIN048293 |
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one |
1,7-bis(4-Hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; (1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; (1E,4E,6E)-1,7-bis-(4-Hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; SCHEMBL3294805; CHEMBL482607; 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; 1,7-Bis(3-methoxy-4-hydroxyphenyl)-1,4,6-heptatriene-3-one |
C21H20O5 |
352.4 g/mol |
COC1=C(C=CC(=C1)C=CC=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN048313 |
Phellodenol C |
phellodenol-c |
|
246.26 g/mol |
|
|
TCMBANKIN048651 |
10-Gingerdione |
10-gingerdione; (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one; AC1NSVUE; SCHEMBL15570964 |
C21H32O4 |
348.5 g/mol |
CCCCCCCCCC(=O)C=C(CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN048729 |
Gancaonin B |
gancaonin b; DTXSID60154437; 5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone; 124596-86-7; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromone; AIDS-095921; SCHEMBL1170939; LMPK12050262; AIDS095921; 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromen-4-one; AK583693; 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; 3',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone; CTK4B4004; 5,7-Dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one; AKOS030553634; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one; 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-4-chromenone; ACMC-20mr47; AC1NSVNP |
C21H20O6 |
368.38 |
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)OC)O)O)C |
|
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 |
|
TCMBANKIN048791 |
licochalcone A |
AIDS-060352; D08GEN; LMPK12120424; 749L227; AN-276; (E)-3-[5-(1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone; (2E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; Licochalcone-A, Synthetic; LICOAGROCHACONE A; SCHEMBL114042; HY-N0372; licochalcone a; CS-5603; 4 inverted exclamation marka,4-Dihydroxy-3-; EX-A1193; BRD-K99667445-001-01-4; 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)- (E)-; Licohalconel A; AIDS060352; 3-[5-((E)-1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone; (E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one; 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; (2E)-3-[5-(1,1-dimethylprop-2-en-1-yl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; NP-012615; Q-100677; AK198741; 3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; 3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; C21H22O4; 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone; s7828; KAZSKMJFUPEHHW-DHZHZOJOSA-N; (E)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; BDBM50068270; LS-122598; HSCI1_000078; MolPort-005-945-554; JTV5467968; ZINC3873123; Licochalcone-A; MolPort-044-567-637; (E)-3-[5-(1,1-dimethylprop-2-enyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one; V2343; Licochalcone A; 58749-22-7; CCG-208030; Licochalcone A, >=96.0% (HPLC); AB0021119; EBD46703; CHEMBL139702; CHEBI:125689; UNII-JTV5467968; AC1NSXJH; AKOS026673964; A-dimethylallyl-6-methoxychalcone; 2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-; (E)-3-[5-(1,1-Dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one; BG01626652 |
C21H22O4 |
338.397 |
c1(O[H])c([H])c([H])c(C(=O)\C([H])=C([H])/c2c([H])c(C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])c(O[H])c([H])c2OC([H])([H])[H])c([H])c1[H] |
|
TCMBANKIN048813 |
cnidiadin |
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 2-methylpropanoate; AC1NSTQ7 |
C18H18O5 |
314.333 |
C(OC(c(c([H])c(c(OC1=O)c2C([H])=C1[H])c3c([H])c2[H])o3)(C([H])([H])[H])C([H])([H])[H])(=O)C([H])(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN048833 |
2'-O-methylisoliquiritigenin |
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; C15531; 2'-o-methyl isoliquiritigenin; 2'-O-Methyl isoliquiritigenin; (E)-1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
C16H14O4 |
270.28 |
c1(O[H])c([H])c([H])c(C(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c([H])c2[H])c(OC([H])([H])[H])c1[H] |
|
TCMBANKIN048933 |
2,4,7-Trimethoxy-9,10-dihydrophenanthrene |
|
|
270.32 g/mol |
|
|
TCMBANKIN049068 |
angelicone |
angelicone; CHEMBL1399436; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one; JEDBBFHVVHKMKS-UHFFFAOYSA-N; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)chromen-2-one; 37719-98-5; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2-oxo-2H-chromene; AC1LDCYV; Glabralactone; HMS2197A08; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)-2H-chromen-2-one; 5,7-dimethoxy-8-(3-methyl-1-oxobut-2-enyl)-2-chromenone; SMR000156205; HMS3357G04; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)coumarin; MLS000574874; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one # |
C16H16O5 |
288.295 |
C1(=O)Oc(c(C(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC([H])([H])[H])c([H])c2OC([H])([H])[H])c2C([H])=C1[H] |
|
TCMBANKIN049085 |
pedatisectine a |
|
C11H10N6O |
242.24 |
|
|
TCMBANKIN049269 |
przewaquinone A |
przewaquinone a; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 6,6-dimethyl-1-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; Phenanthrol[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1-(hydroxymethyl)-6,6-dimethyl- |
C19H18O4 |
310.344 |
C1([H])([H])C([H])([H])c(c(C(=O)C(=O)c(c(C([H])([H])O[H])c([H])o2)c23)c3c([H])c4[H])c4C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN049341 |
shikonofuran B |
[1-[5-3-furanyl]-4-methyl-3-penten-1-yl]2-methylbutanoate; AC1NT0DO; 85022-65-7; shikonofuran b; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate; Shikonofuran B |
C21H26O5 |
358.43 |
CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
|
TCMBANKIN049357 |
corynoxeine |
CS-3803; AX8245225; 6877-32-3; ZINC33830337; 27KIC0Q2VA; AK119809; Y0055; AJ-86336; CHEMBL1909424; CHEMBL481358; Corynoxan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-2-oxo-, methyl ester, (7beta,16E,20alpha)-; CHEBI:70072; AKOS016010994; AKOS032948990; Corynoxine; ST24046371; X1112; MolPort-020-005-704; N2484; MolPort-044-724-587; 630-94-4; ZINC33830335; C22H28N2O4; HY-N0590; CS-3802; Q-100772; UNII-27KIC0Q2VA; HY-N0901; 76-66-4; Corynoxeine |
C22H26N2O4 |
382.453 |
c1([H])c(N([H])C(=O)[C@@]23C([H])([H])C([H])([H])N(C([H])([H])[C@@](C([H])=C([H])[H])([H])[C@](\C(\C(OC([H])([H])[H])=O)=C([H])/OC([H])([H])[H])([H])C4([H])[H])[C@]24[H])c3c([H])c([H])c1[H] |
|
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 |
|
TCMBANKIN049417 |
(-)-Oblongine |
|
C19H24NO3 |
315 |
c1([H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C([H])([H])c3c([H])c([H])c(O[H])c([H])c3[H])c2c(O[H])c1OC([H])([H])[H] |
|
TCMBANKIN049426 |
vitrofolal C |
vitrofolal c |
C21H18O6 |
366.4 g/mol |
COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC |
|
TCMBANKIN049505 |
Stepharanine |
|
|
324.3 g/mol |
|
|
TCMBANKIN049525 |
androsin |
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)-; 1-[3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; MEGxp0_001242; 531-28-2; ACon1_001064; androsin; 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone |
C15H20O8 |
328.314 |
c1(OC([H])([H])[H])c(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c(C(=O)C([H])([H])[H])c1[H] |
|
TCMBANKIN049539 |
Edultin |
ZINC2561231; Cnidimine; HMS2224K16; [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; MLS000574916; [(8S,9R)-8-(1-acetoxy-1-methyl-ethyl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(8S,9R)-8-(1-acetoxy-1-methylethyl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] ester; SMR000156218; [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; edultin; (Z)-2-methylbut-2-enoic acid [(8S,9R)-8-(1-acetoxy-1-methyl-ethyl)-2-keto-8,9-dihydrofuro[5,4-h]chromen-9-yl] ester; (8S,9R)-8-[2-(ACETYLOXY)PROPAN-2-YL]-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-9-YL (2Z)-2-METHYLBUT-2-ENOATE; CHEMBL1302068; AC1NSV18; 15591-75-0; Q-100934 |
C21H22O7 |
386.4 |
CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C |
|
TCMBANKIN049540 |
Helioscopinolide B |
helioscopinolide b |
|
316.43 |
|
|
TCMBANKIN049554 |
liliflone |
|
C21H26O6 |
374.43 |
|
|
TCMBANKIN049669 |
sesamolin |
5-[4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole; 1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-; 1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-; ZZMNWJVJUKMZJY-UHFFFAOYSA-N; 5-[4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole; 2-(3,4-Methylenedioxyphenoxy)-6-(3,4-methylenedioxyphenyl)-cis-3,7-dioxabicyclo[3.3.0]octane; tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1h,3h-furo[3,4-c]furan; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-; 1H,3H-Furo[3,4-c]furan, tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-, (1R,3aR,4S,6aR)-; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, (1S,3aR,4R,6aR)-; AI3-20978; 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; CTK5J7838; 526-07-8; 1H,3H-Furo[3,4-c]furan, 1,3-benzodioxole deriv.; 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole; (+)-sesamolin; SCHEMBL163697; AC1LBNZK; 5-[[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole |
C20H18O7 |
370.35 |
C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
|
TCMBANKIN049685 |
ardisianone B |
|
C20H30O4 |
334.45 |
|
|
TCMBANKIN049825 |
tetrahydrofuroguaiacin B |
|
C20H24O5 |
344.4 g/mol |
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
|
TCMBANKIN049834 |
hexandraside D |
|
C39H50O19 |
822.8 |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O |
|
TCMBANKIN049864 |
denudaquinol |
|
C19H26O4 |
318.407 |
c1(O[H])c([H])c(C([H])([H])C(OC([H])([H])[H])=O)c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c1[H] |
|
TCMBANKIN049952 |
procurcumadiol |
|
C15H22O3 |
250.33 |
CC1=CC(=O)C(=C(C)C)CC2(C1CCC2(C)O)O |
|
TCMBANKIN049993 |
3-beta-Hydroxymethyllenetanshiquinone |
(7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; (7S)-7-hydroxy-1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; 3-beta-hydroxymethyllenetanshiquinone |
C18H14O4 |
294.301 |
c12c(C(=C([H])[H])[C@@]([H])(O[H])C([H])([H])C1([H])[H])c([H])c([H])c3c2C(=O)C(=O)c(c(C([H])([H])[H])c([H])o4)c34 |
|
TCMBANKIN050117 |
magnolone |
|
C21H22O7 |
386.4 g/mol |
COC1=C(C=C(C=C1)C(=O)C2COC(C2CO)C3=CC4=C(C=C3)OCO4)OC |
|
TCMBANKIN050200 |
Zincpolyanemine |
|
|
317.7 g/mol |
|
|
TCMBANKIN050205 |
denudanolide a |
|
C20H20O6 |
356.4 g/mol |
CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN050213 |
(-)-Epicatechin-pentaacetate |
Spectrum2_000465; (-)-epicatechin-pentaacetate; KBioGR_002065; KBio2_002514; [(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] ethanoate; SDCCGMLS-0066813.P001; Spectrum3_001219; Spectrum4_001633; acetic acid [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-3-chromanyl] ester; [(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] acetate; SPBio_000570; KBio3_002138; [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] acetate; KBio2_007650; Spectrum5_000445; BSPBio_002638; acetic acid [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] ester; KBio2_005082; SPECTRUM1504256; Spectrum_001964; KBioSS_002522 |
C25H24O11 |
500.451 |
c12c(O[C@]([H])(c3c([H])c([H])c(OC(=O)C([H])([H])[H])c(OC(=O)C([H])([H])[H])c3[H])[C@]([H])(OC(C([H])([H])[H])=O)C1([H])[H])c([H])c(OC(=O)C([H])([H])[H])c([H])c2OC(=O)C([H])([H])[H] |
|
TCMBANKIN050237 |
licopyranocoumarin |
AC1L3VDZ; GU 7; 3-(3,4-Dihydroxyphenyl)-8-hydroxymethyl-8-methyl-5-methoxy-6,7-dihydro-2H,8H-benzo(1,2-b-5,4-b')dipyran-2-one; 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-; 121249-16-9; 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-, (+)-; CHEMBL597425; 4X8VZO798F; 7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one; UNII-4X8VZO798F; GU-7; SCHEMBL2221932; LMPK12160021; Licopyranocoumarin; 117038-80-9 |
C21H20O7 |
384.38 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO |
|
TCMBANKIN050293 |
Peucedanocoumarin II |
[(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (E)-2-methylbut-2-enoate; (E)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; SpecPlus_000914; Spectrum2_000745; SPBio_000730; [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] 2-methylbut-2-enoate; 2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; Spectrum4_001856; (E)-2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester; BSPBio_003339; [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (E)-2-methylbut-2-enoate; Spectrum_001512; [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] 2-methylbut-2-enoate; ZINC03984029; Spectrum5_000392; KBioSS_001992; KBio2_001992; KBio2_004560; SPECTRUM1504160; MEGxp0_001932; peucedanocoumarin ii; SDCCGMLS-0066830.P001; KBioGR_002293; DivK1c_007010; KBio2_007128; KBio3_002559; Spectrum3_001640; KBio1_001954; 2-methylbut-2-enoic acid [(9R,10R)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester |
C21H22O7 |
386.4 g/mol |
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C |
|
TCMBANKIN050298 |
Epimedoside C |
epimedoside c |
|
516.5 g/mol |
|
|
TCMBANKIN050302 |
fuzitine |
|
C20H25NO5 |
359.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)O)O)OC)OC)C.[OH-] |
|
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] |
|
TCMBANKIN050326 |
saponin |
Saponin |
C45H73NO15 |
868 |
[C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[C@@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[C@]4([H])C([H])([H])C(=C(
[H])C([H])([H])[C@]5([H])[C@]6([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C7([H])[H])N78)[C@]8([H])C9(
[H])[H])[C@]59[H])[C@]6(C([H])([H])[H])C([H])([H])C4([H])[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
|
TCMBANKIN050414 |
bungeanine |
|
C22H19NO6 |
393.39 |
|
|
TCMBANKIN050431 |
Eupaformosanin |
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester; 64439-43-6; C09432; (E)-4-hydroxy-2-methylol-but-2-enoic acid [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester; [(3aR,4R,6E,9R,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; eupaformosanin; [(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate |
C22H28O8 |
420.45 |
CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)CO)C(=C)C(=O)O2)C)OC(=O)C |
|
TCMBANKIN050435 |
melianoninol |
|
C20H20O6 |
356.37 |
COC1=CC2=C(C=C1)OC(C2CO)C3=C(C=C(C(=C3)O)C=CC=O)OC |
|
TCMBANKIN054848 |
Valerianae alkaloid B |
phenyl pyruvicacid;PPY;CHEBI:30851; PHENYL-PYRUVATE; phenylpyruvate; 156-06-9; keto-phenylpyruvate; alpha-oxo-benzenepropanoic acid; SBB012361; AIDS167235; 2-Oxo-3-phenylpropanic acid; Benzenepropanoic acid, .alpha.-oxo-; Benzenepropanoic acid, alpha-oxo-; beta-phenylpyruvic acid; 3-Phenylpyruvic acid; 2-keto-3-phenyl-propionic acid; 286958_ALDRICH; 1PY; Phenyl pyruvic acid; C00166; alpha-ketohydrocinnamic acid; Pyruvic acid, phenyl-; keto-phenylpyruvic acid; 3-phenyl-2-oxopropanoate; 2-oxo-3-phenylpropanoic acid; 2-oxo-3-phenyl-propanoic acid; EINECS 205-847-1; Phenylbrenztraubensaeure; AIDS-167235; phenylpyruvic acid; 2-OXO-3-PHENYLPROPIONIC ACID; 3-phenyl-2-oxopropanoic acid |
C18H23ClNO2 |
|
C1([H])=N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])C([H])=C(C([H])([H])O[H])C3=C1[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H].Cl |
|
TCMBANKIN055740 |
3',4'-Dihydroxyacetophenone |
C16225; 35878-41-2; (3R)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (3R)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; 7,2'-dihydroxy-4'-methoxyisoflavan; C16225; (3S)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; 4CN-2332; C10540; 9JHS2AVR43; vestitol; 35878-41-2; (R)-(-)-Vestitol; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol; ZB015172; ZINC899922; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol; CTK1C3580; (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (?)-Vestitol; CHEBI:80392; (-)-Vestitol; AC1L4ALZ; UNII-Z244UVZ669 component XRVFNNUXNVWYTI-NSHDSACASA-N; CHEMBL479145; Vestitol, (-)-; UNII-9JHS2AVR43; MolPort-039-338-174; 20879-05-4; (3S)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; Vestitol |
C8H8O3 |
152.147 |
c1([H])c(C(=O)C([H])([H])[H])c([H])c(O[H])c(O[H])c1[H] |
|
TCMBANKIN055948 |
Eupachlorin acetate |
enoxaparin;nadroparin |
C22H27ClO8 |
420.453 |
[C@]12([H])[C@](O[H])(C(C([H])([H])[H])=C([H])[C@@]1([H])OC(=O)C([H])([H])[H])[C@]3([H])[C@]([H])(C(=C([H])[H])C(=O)O3)[C@]([H])(OC(=O)\C(\C([H])([H])[H])=C([H])/C([H])([H])[H])C([H])([H])[C@]2(O[H])C
([H])([H])Cl |
|
TCMBANKIN056613 |
7-O-Methyl leucopelargonidin-3-mono-glucofuranoside |
usnicacid; usnic acid; (?)-usnicacid |
C22H26O11 |
466.435 |
c1(OC([H])([H])[H])c([H])c(O[C@@]([H])(c2c([H])c([H])c(O[H])c([H])c2[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])([C@@]([H])(C([H])([H])O[H])O[H])O3)[C@@]4([H])O[H])c4c(O[H])c1[H] |
|
TCMBANKIN057911 |
se |
selenium |
H2Se |
78.97 g/mol |
[Se] |
|
TCMBANKIN057914 |
erythropterin |
SCHEMBL16431216; AC1O5O43; MXU723R25N; UNII-MXU723R25N; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxopropanoic acid; Erythropterin; EINECS 231-214-4; 7449/3/8; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxo-propanoic acid; (3Z)-3-(2-amino-4,6-diketo-5,8-dihydro-1H-pteridin-7-ylidene)-2-keto-propionic acid; 3-(2-Amino-4,5,6,8-tetrahydro-4,6-dioxopteridin-7(3H)-ylidene)-2-oxopropionic acid; 7449-03-8; EINECS 231-214-4; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxopropanoic acid |
C9H7N5O5 |
265.18 g/mol |
C(=C(C(=O)O)O)C1=NC2=C(C(=O)NC(=N2)N)NC1=O |
|
TCMBANKIN057915 |
FUM |
U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid |
C4H4O4 |
116.07 |
C(=CC(=O)O)C(=O)O |
|
TCMBANKIN057917 |
OXL |
ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid |
C2H2O4 |
90.03 g/mol |
C(=O)(C(=O)O)O |
|
TCMBANKIN057919 |
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside |
formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA |
HCOOH or CH2O2 |
46.025 g/mol;46.03 |
C(=O)O |
|
TCMBANKIN057923 |
glycin |
Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY |
C2H5NO2 |
75.07 g/mol |
C(C(=O)O)N |
|
TCMBANKIN057929 |
serine |
(s)-serine;H-Ser; Serinum [Latin]; 56-45-1; SCHEMBL1775; L-Serine, Vetec(TM) reagent grade, >=99%; bmse000867; (2S)-2-amino-3-hydroxypropanoic acid; Serine (L-Serine); EC 200-274-3; 6898-95-9; CS-W020136; L-Serine, homopolymer; CHEBI:17115; H-Ser-OH; S0035; L-Serine, PharmaGrade, Ajinomoto, EP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture; 2-Amino-3-hydroxypropanoic acid-, (S)-; b-Hydroxy-L-alanine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-2-Amino-3-hydroxypropanoic Acid; BRN 1721404; EBD2198140; BC676679; Serinum; Serine (VAN); L-Serine;; NSC760115; (S)-(-)-Serine; AJ-24136; L-3-Hydroxy-2-aminopropionic acid; UNII-00PAR1C66F component MTCFGRXMJLQNBG-REOHCLBHSA-N; EINECS 200-274-3; TC-066532; L-Serine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%; ZINC895034; TL806218; (L)-SERINE; 61748-67-2; L-Serine, Vetec(TM), 98.5%; L-Serine, PharmaGrade, Ajinomoto, EP, USP, JP, Manufactured under appropriate controls for use in pharma or biopharmaceutical production, suitable for cell culture; NCGC00015952-01; Serine (USP); beta-Hydroxyalanine; L-Serine, BioUltra, >=99.5% (NT); Racemic serine; L-Serin; (S)-beta-Amino-3-hydroxypropionate; L-(-)-Serine; NSC 118365; Pharmakon1600-01301010; BR-73019; AK-73019; AmbotzHAA1129; (-)-Serine; (S)-alpha-Amino-beta-hydroxypropionic acid; (2S)-2-amino-3-hydroxy-propanoic acid; CTK1G9788; GTPL726; 452VLY9402; DB00133; 88848-EP2289892A1; MFCD00064224; l-2-Amino-3-hydroxy-propanoic acid; (S)-(+)-2-Amino-3-hydroxypropionic acid; Tocris-0226; (2S)-2-AMINO-2-CARBOXY-1-HYDROXYETHYL; AKOS015854115; 154605-73-9; bmse000048; alpha-Amino-beta-hydroxypropionic acid; bmse000809; MolPort-003-939-270; ser; LS-144975; 88848-EP2305825A1; (S)-a-Amino-b-hydroxypropionic acid; serine; RP09655; DB-029983; RP18847; AC1L1LHF; L-Serine (JP17); L-Serine, Pharmaceutical Secondary Standard; Certified Reference Material; AC-1190; .beta.-Hydroxyalanine; KSC269O8R; KB-53386; BDBM50357212; RTC-066532; NCGC00024507-02; NSC-760115; Lopac-S-4250; D00016; Serina; Propanoic acid, 2-amino-3-hydroxy-, (S)-; NCGC00024507-01; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; L-Serine, United States Pharmacopeia (USP) Reference Standard; MCULE-5604658333; AM20100375; (S)-Serine; SC-09827; Tocris-0227; L-2-Amino-3-hydroxypropionic acid; bmse000885; AB1002443; UNII-452VLY9402; beta-Hydroxy-L-alanine; 064S224; Serina [Spanish]; L-Serine, Cell Culture Reagent; HSDB 680; Serine, L-; FT-0693445; Serine, European Pharmacopoeia (EP) Reference Standard; L-serine; 3h-l-serine; C00065; (S)-alpha-Amino-beta-hydroxypropionate; L-Serine, certified reference material, TraceCERT(R); Serine [USAN:INN]; 25821-52-7; .alpha.-Amino-.beta.-hydroxypropionic acid-, (S)-; 2-Amino-3-hydroxypropanoic acid, (S)-; F1905-7047; (S)-2-amino-3-hydroxy-Propanoate; (S)-beta-Amino-3-hydroxypropionic acid; L-Serine, ReagentPlus(R), >=99% (HPLC); (S)-2-Amino-3-hydroxypropionic acid; L-Serine, >=99.0% (NT); SR-01000597708; (S)-2-Amino-3-hydroxypropanoate; AN-24441; ST2408299; BP-13282; (S)-2-amino-3-hydroxy-Propanoic acid; CHEMBL11298; 3-hydroxy-L-Alanine; MTCFGRXMJLQNBG-REOHCLBHSA-N; L-Serine, tested according to Ph.Eur.; D0T6GM; PubChem10994; VC30786; Epitope ID:150900; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-alanine; M-6047; FT-0627627; Z1270387256; SR-01000597708-1; 3AB40D3A-043A-488F-8361-D1BF309F842C; 4-04-00-03118 (Beilstein Handbook Reference); AB0008559; (S)-a-Amino-b-hydroxypropionate; SER (IUPAC abbrev); L-Alanine, 3-hydroxy-; L-ser; ACT08366; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropionic acid; Poly-L-serine; ANW-32514; rac-serine;(S)-2-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoic acid; Serinum [Latin]; S4311_SIGMA; NCGC00024507-02; NSC 118365; Lopac-S-4250; D00016; (2S)-2-amino-3-hydroxypropanoic acid; (-)-Serine; (2S)-2-amino-3-hydroxy-propionic acid; Propanoic acid, 2-amino-3-hydroxy-, (S)-; (S)-alpha-Amino-beta-hydroxypropionic acid; 6898-95-9; (2S)-2-amino-3-hydroxy-propanoic acid; NCGC00024507-01; L-Serine, homopolymer; CHEBI:17115; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-3-Hydroxy-alanine; Tocris-0226; (S)-Serine; Tocris-0227; BRN 1721404; L-2-Amino-3-hydroxypropionic acid; beta-Hydroxy-L-alanine; Serina [Spanish]; Serine (VAN); 84959_FLUKA; alpha-Amino-beta-hydroxypropionic acid; HSDB 680; Serine, L-; C00065; 4-04-00-03118 (Beilstein Handbook Reference); L-3-Hydroxy-2-aminopropionic acid; EINECS 200-274-3; L-Serine (JAN); SER (IUPAC abbrev); Serine [USAN:INN]; 25821-52-7; 78682_FLUKA; 2-Amino-3-hydroxypropanoic acid, (S)-; L-Alanine, 3-hydroxy-; S1315_SIGMA; NCGC00015952-01; Serine (USP); Poly-L-serine; beta-Hydroxyalanine; S4500_SIGMA;L-Serin |
C3H7NO3 |
105.09 g/mol |
C(C(C(=O)O)N)O |
|
TCMBANKIN057931 |
DMR |
CHEBI:30796; 02300_FLUKA; Malic acid, L(+)-; L(+)-Malic acid; C00497; InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9; butanedioic acid, 2-hydroxy-; (R)-()-2-Hydroxysuccinic acid; (2R)-2-hydroxysuccinic acid; D-()-Malic acid; D-Hydroxybutanedioic acid; EINECS 211-262-2; (R)-malic acid; Malic acid D-(+)-form; 2-HYDROXY-SUCCINIC ACID; MLS000069520; (2R)-2-hydroxybutanedioic acid; 46940U_SUPELCO; SMR000058580; (+)-D-malic acid; Malic acid, D-; R-malic acid; D- malic acid |
C4H6O5 |
134.09 g/mol |
C(C(C(=O)O)O)C(=O)O |
|
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 |
|
TCMBANKIN057963 |
succinic acid |
NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid |
C4H6O4 |
118.09 g/mol |
C(CC(=O)O)C(=O)O |
|
TCMBANKIN057965 |
arginine |
L(+ )-arginine;EINECS 230-571-3; (2S)-2-amino-5-guanidino-pentanoic acid; EINECS 200-811-1; (S)-2-Amino-5-guanidinovaleric acid; DL-Arginine; (L)-Arginine; Arginine hydrochloride(USAN); 1-Amino-4-guanidovaleric acid; L-Ornithine, N5-(aminoiminomethyl)-; W381918_ALDRICH; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; Arginine [USAN:INN]; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Arginine, labeled with tritium; AI3-24165; AIDS-121865; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; NSC203450 (HYDROCHLORIDE); A5006_SIAL; (+-)-Arginine; L-Norvaline, 5-((aminoiminomethyl)amino)-; AIDS121865; Lopac0_000077; Tocris-0663; Arginine (VAN); 4455-52-1; CCRIS 3609; BRN 1725413; NCGC00015064-01; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; (2S)-2-amino-5-guanidinopentanoic acid; D02982; Argininum [INN-Latin]; C00062; 7200-25-1; A8094_SIGMA; 11009_FLUKA; Poly(L-arginine); (2S)-2-amino-5-guanidino-valeric acid; Lopac-A-5006; NSC 206269; HSDB 1429; CHEBI:16467; L-Arginine, homopolymer; L-Arginine (9CI); Arginina [INN-Spanish]; 4-04-00-02648 (Beilstein Handbook Reference); (S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; Arginine, L- (8CI); L-Arginine (JP15); EU-0100077; L-alpha-Amino-delta-guanidinovaleric acid; NSC7914 (HYDROCHLORIDE); Arginine (USP); 1119-34-2 (HYDROCHLORIDE); Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; L-Arg; L-Norvaline, 5-[(aminoiminomethyl)amino]-; 142-49-4; A4474_SIAL; InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s; L-Arginin; Arginine, DL-; NCGC00024715-01;AC1ODX8E; [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium; [AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM |
C6H14N4O2 |
174.2 g/mol |
C(CC(C(=O)O)N)CN=C(N)N |
|
TCMBANKIN057966 |
CIR |
C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid |
C6H13N3O3 |
175.19 g/mol |
C(CC(C(=O)O)N)CNC(=O)N |
|
TCMBANKIN057986 |
EG |
NSC35747; 81310_FLUKA; Glycol, polyethylene (600); c0542; Sentry polyox WSR (TN); 73034_FLUKA; 1,2-ETHANEDIOL (GLYCOL); 02393_FLUKA; 95172_FLUKA; Carbowax 300; 03747_FLUKA; 81180_FLUKA; Methoxypolyethylene glycol; NSC 93876; 202487_ALDRICH; 03468_FLUKA; P4338_SIAL; 81202_FLUKA; Polyethylene glycol, diglycidyl bisphenol A polymer; Polyethylene glycol compound; 81288_FLUKA; 293237_ALDRICH; P0694_SIAL; 372811_ALDRICH; CCRIS 3744; 637726_ALDRICH; Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-; 44101_FLUKA; 81292_FLUKA; 146AR; 181986_ALDRICH; D06424; M.e.g.; Methoxy poly(ethylene glycol); CHEBI:30742; 81294_FLUKA; 81190_FLUKA; 03469_FLUKA; Macrogol 400 (TN); NSC32853; 37225-26-6; AIDS017549; 81272_FLUKA; 81208_FLUKA; NCGC00091510-01; Ethylene glycol; 372838_ALDRICH; Macrogol 6000 (JP15); Ethane-1,2-diol; 81162_FLUKA; Ethylene dihydrate; NSC152325; P7181_SIGMA; Solbanon (TN); 81210_FLUKA; 03465_FLUKA; 182028_ALDRICH; 81298_FLUKA; 03466_FLUKA; 87006_FLUKA; NSC32856; Union Carbide XL 54 Type I De-icing Fluid; Carbowax 1540; 81260_FLUKA; Lutrol E (TN); Polyethylene oxide; 95904_FLUKA; 81304_FLUKA; Caswell No. 441; 03463_FLUKA; 17738_FLUKA; 81170_FLUKA; Macrogol 1500 (JP15); P4463_SIAL; 81268_FLUKA; 85978_FLUKA; NSC57859; 03997_FLUKA; 71578_FLUKA; PEG 3600; Macrogol (JP15); P5413_SIAL; 81296_FLUKA; Glycol, polypropylene (P750); NCI-C00920; D06422; M6768_SIGMA; P3515_SIGMA; 202436_ALDRICH; 90878_FLUKA; Polyethylene glycol 200; D06423; 88440_FLUKA; NSC35749; 182001_ALDRICH; Ucar 17; DuPont Zonyl FSO Fluorinated Surfactants; 71767-64-1; Polyethylene oxide (NF); NCIOpen2_002100; Fridex; 87333_FLUKA; P3640_SIGMA; 81172_FLUKA; 88276_FLUKA; 372803_ALDRICH; Lutrol E; Glycol, polypropylene (P400); NSC35748; 03395_FLUKA; P1458_SIAL; Tescol; P7777_SIGMA; 03473_FLUKA; Poly(ethylene glycol) methyl ether; 84184_FLUKA; P2263_SIGMA; DuPont Zonyl FSE Fluorinated Surfactants; 373001_ALDRICH; Macrogol 6000 (TN); 81150_FLUKA; Lutrol-9; NSC32855; NSC35746; POLYETHYLENE GLYCOL; InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H; A-GLYCOL; 81201_FLUKA; Macrogol 1500 (TN); 324558_ALDRICH; 81284_FLUKA; Methoxypolyethylene glycol 350; 81289_FLUKA; NSC35745; 107-21-1; 81160_FLUKA; Carbowax 4000; 83272_FLUKA; ethanediol; 94646_FLUKA; D03370; 81323_FLUKA; 03461_FLUKA; 202371_ALDRICH; Undecaethylene glycol; 81293_FLUKA; Polyethylene glycol/Polyethylene oxide standard ReadyCal set Mp 500-2'740'000; 202495_ALDRICH; D06418; 1,2-Dihydroxyethane; HO-CH2-CH2-OH; 83271_FLUKA; 2219-51-4; AI3-03050; Macrogol 1500; C15588; Zerex; D06419; 81280_FLUKA; C01380; 89782_FLUKA; P7306_SIGMA; NSC93876; 202401_ALDRICH; 81269_FLUKA; Lutrol 9; 372773_ALDRICH; P6644_SIAL; 03394_FLUKA; EGL; 81206_FLUKA; Polyethylene glycol 3'000 monodispers solution; 03467_FLUKA; 33068_RIEDEL; 81275_FLUKA; Dowtherm SR 1; 76293_FLUKA; 55235_FLUKA; P6667_SIAL; 202509_ALDRICH; 189464_ALDRICH; NSC155081; D06420; 81205_FLUKA; HSDB 5012; 81221_FLUKA; 81212_FLUKA; Polyethylene oxide Standard 10'000; EPA Pesticide Chemical Code 042203; Glycol, ethylene-; 81213_FLUKA; 81187_FLUKA; Macrogol; 92897_FLUKA; Macrogol 6000; Carbowax 6000; 81227_FLUKA; 81209_FLUKA; 372994_ALDRICH; 81290_FLUKA; 81253_FLUKA; 81200_FLUKA; Dowtherm 4000; Poly(ethylene oxide); P3265_SIGMA; P3015_SIAL; 81242_FLUKA; 309028_ALDRICH; mono-Methyl polyethylene glycol; 372781_ALDRICH; P5402_SIAL; 81300_FLUKA; D06421; Glycol, polyethylene (400); 81230_FLUKA; Carbowax 400; 1,2-ethanediol; EDO; 03770_FLUKA; EINECS 203-473-3; 189472_ALDRICH; ZINC05224354; PEG 400; Sentry polyox WSR; Polyethylene glycol solution; Solbanon; PEG solution; Polyethylene glycol (NF); 81291_FLUKA; monoethylene glycol; Macrogol 400 (JP15); Macrogol 4000 (TN); 181994_ALDRICH; 202452_ALDRICH; Athylenglykol; PEG 600; 03464_FLUKA; NCIOpen2_002019; mono-Methyl polyethylene glycol 350; ST5214442; 91893_FLUKA; Macrogol 20000; NSC152324; 81282_FLUKA; 189456_ALDRICH; WLN: Q2Q; 295906_ALDRICH; 102466_ALDRICH; 81240_FLUKA; 1,2-Ethandiol; 37221-95-7; Macrogol 400; MPEG; 81396_FLUKA; 202444_ALDRICH; Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl); 89510_FLUKA; 81214_FLUKA; Poly(ethylene glycol); Macrogol 4000 (JP15); 202398_ALDRICH; NSC32854; P2906_SIGMA; Polyethyleneglycol Bisphenol A Epichlorohydrin Copolymer; Carbowax 1000; 81286_FLUKA; 2-hydroxyethanol; 03462_FLUKA; 81287_FLUKA; 81188_FLUKA; Norkool; 84797_FLUKA; GLYCOL; 81283_FLUKA; P2139_SIAL; 96699_FLUKA; Macrogol 400 BPC; Ethylene alcohol; 81255_FLUKA; Glycol, polyethylene; 86101_FLUKA; Aethylenglykol [German]; Polyethylene glycol standard set Mp 400-40'000; 03557_FLUKA; Glycol, polypropylene (P1200); 81285_FLUKA; NCIOpen2_001979; Macrogol 20000 (JP15); Polyethylene glycol monomethyl ether; Glycol alcohol; 81189_FLUKA; ethylene-glycol; AIDS-017549; 25322-68-3; glycol |
(C2H4O)nH2O (n = number of ethylene oxide units corresponding to a molecular weight of 6 000, about 140); C2H6O2 |
62.07 g/mol |
C(CO)O |
|
TCMBANKIN057987 |
canavanine |
GGB;Butyric acid, 2-amino-4-(guanidinooxy)-, L; Spectrum_001137; SDCCGMLS-0066683.P001; NSC8921 (SULFATE); [Eur.J.Pharmacol. 269:269; 271:87 (1994)]; AIDS-011903; L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID; IDI1_000360; KBioSS_001617; BSPBio_002592; Lopac-C-9758; (2S)-2-amino-4-(diaminomethylideneamino)oxy-butanoic acid; NCGC00015287-01; Spectrum3_001206; KBio1_000360; BPBio1_000570; 2-Amino-4-(guanidinooxy)butyric acid; 543-38-4 (FREE BASE); BSPBio_000518; Spectrum5_001884; Spectrum4_000783; L(+)-Canavanine; SPECTRUM1500833; SMP1_000062; C00308; Prestwick3_000609; (2S)-2-amino-4-guanidinooxy-butyric acid; KBioGR_001226; Spectrum2_000800; (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid; KBio2_001617; KBio3_002092; KBio2_006753; (2S)-2-amino-4-guanidinooxybutanoic acid; NINDS_000360; Lopac0_000320; KBio2_004185; (2S)-2-amino-4-guanidinooxy-butanoic acid; DivK1c_000360; 2219-31-0 (SULFATE); O-{[Amino(imino)methyl]amino}-L-homoserine; SPBio_000940; AIDS011903; NCGC00024722-01; Tocris-0673 |
C5H12N4O3 |
176.17 g/mol |
C(CON=C(N)N)C(C(=O)O)N |
|
TCMBANKIN057989 |
2-amino-4-mercaptobutanoic acid |
Demethylation Lindera base |
C4H9NO2S |
135.18 |
C(CS)C(C(=O)O)N |
|
TCMBANKIN057994 |
n-candicine |
candicine;AK608281; 2-(4-hydroxyphenyl)ethyl-trimethylazanium; 2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide; AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-; NCGC00246201-01; BDBM73699; P-HYDROXYPHENYLETHYLTRIMETHYLAMMONIUM; 6656-13-9; 2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide; SMR000386994; C10575; SCHEMBL9561478; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium; Candicine; MLS001048976; BRN 4133224; maltoxin; STOCK1N-09195; LS-18378; AC1L2LQA; cid_15127809; 2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium; 2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide; CHEBI:3350; AKOS030573561; BENZENEETHANAMINIUM,4-HYDROXY-N,N,N-TRIMETHYL-; CHEMBL1186075; 4-Hydroxy-N,N,N-trimethylbenzeneethanaminium; MCULE-2664478913; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl- (9CI); FT-0737753; Candicin; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide; ZINC518912 |
C11H18NO+ |
180.27 g/mol |
C[N+](C)(C)CCC1=CC=C(C=C1)O |
|
TCMBANKIN057996 |
tembetarine |
(+)-tembetarin;tembetarine |
C20H26NO4+ |
344.4 g/mol |
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C |
|
TCMBANKIN057998 |
magnoflorine |
NSC150447; AKOS025401511; Magnoflorine; Escholine Iodide; C20H24NO4.I; Magnoflorine, iodide; Thalictrine Iodide; Magnoflorine Iodide (6CI,7CI); N2506; AC-20269; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, iodide, (S)-; Magnoflorine-iodide; NSC 150447; MAGNOFLORINE IODIDE; MAGNOFLORINE IODIDE, (+)-(RG); Magnoflorineiodide; BG01755204; (+)-Magnoflorine Iodide; CHEMBL494052; Corytuberine Methiodide; MolPort-006-069-296; NSC-150447; 4277-43-4; (+)-MAGNOFLORINE IODIDE; 1,11-Dihydroxy-2,10-dimethoxy-6-methyl-6a; AK608288; A-aporphinium Iodide; 8167AH; DTXSID00195420; (6aS)-5,6,6a,7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium Iodide; magnoflorine; (+)-magnoflorine |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
|
TCMBANKIN057999 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; meruspermine; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN058000 |
zizyphusine |
(r)-zizyphusine |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)O)C |
|
TCMBANKIN058002 |
fagaridine |
isofagaridine |
C20H16NO4+ |
334.3 g/mol |
C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5 |
|
TCMBANKIN058003 |
sanguinarine |
Sanguinarine, 8CI); NSC-59270; sanguinarine ; NSC-35607; [1,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, nitrate,sanguiritrin |
C20H14NO4+ |
332.3 g/mol |
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
|
TCMBANKIN058005 |
cissamine |
DTXSID00171789; 18556-27-9; 6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)-; AC1MIY8A; (S,S)-N-methylscoulerine; (7S,13aS)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolinium; (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol; Cyclanoline; ZINC255226625; CHEBI:76923; S-trans-cyclanoline; (S)-cis-N-methylscoulerine; (6S,12BS)-4,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-7,8,12B,13-TETRAHYDRO-5H-6-AZATETRAPHEN-6-IUM; Cissamine;cyclanoline |
C20H24NO4+ |
342.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC |
|
TCMBANKIN058017 |
3-Epizaluzanin C |
CHEBI:81375; AC1LAM4X; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CHEMBL461700; AIDS070709; 67667-64-5; AIDS-070709; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; Isozaluzanin C; (3as,6ar,8r,9ar,9bs)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; SCHEMBL17214374; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; C17912; CTK7F2785; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; 3-epizaluzanin c; Dehydrocostus lactone der.;zaluzain c;zaluzanin c;isozaluzanine |
C15H18O3 |
246.3 g/mol |
C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C |
|
TCMBANKIN058025 |
styrene |
105270-05-1; cinnamene; phenyl-ethylene; 61584-90-5; C19506; PPBRXRYQALVLMV-UHFFFAOYSA-N; 81415_FLUKA; 5487-EP2277945A1; MFCD00084450; CJ-04646; 52932-49-7; Benzene, ethenyl-, homopolymer; 20215_SUPELCO; Polystyrene, atactic; InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H; S4972_SIAL; 81413_FLUKA; 51609-87-1; Styrene, analytical standard; AKOS000119972; Polystyrene standard, M.W. 1,300, Mw/Mn 1.06; 182435_ALDRICH; viny lbenzol; Chromosorb 102,100/120 50G; S0651; 9055-91-8; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; 189596_ALDRICH; 61584-89-2; 37291-EP2311803A1; Polysorb; 379514_ALDRICH; 00945_FLUKA; 79637-11-9; 5487-EP2269995A1; 5487-EP2295426A1; Cinnamene; 172641-48-4; 730985-59-8; NCGC00091056-01; 5487-EP2309584A1; CCRIS 564; 81406_FLUKA; AI3-24374; 81412_FLUKA; 117294-EP2287158A1; 78354-47-9; 1191987-17-3; 110866-50-7; W323306_ALDRICH; Benzene, ethenyl-, homopolymer, hydrogenated; Polystyrene standard, M.W. 2,200, Mw/Mn 1.06; UN 2055 (Salt/Mix); 149212-19-1; 100-42-5; Vinylbenzene, inhibited; Cinnamenol; 1263545-74-9; 5487-EP2305686A1; Styrene 5000 ng/microl in Methanol; Ethenylbenzene; 373601-20-8; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Phenethylene; FT-0689054; Polystyrene standard, M.W. 13,000, Mw/Mn 1.06; Styrene, SAJ first grade, >=99.0%; Styrol [German]; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; 58033-91-3; Styren; CHEBI:27452; MALDI validation set polystyrene Mp 500-70'000 certified according to DIN; 5487-EP2295415A1; Styrene Resin (Med.M.Wt.); Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; 327808_ALDRICH; Chromosorb 106, 60/80 MESH, 50GM; 171022-09-6; Styrene polymer; 461733_ALDRICH; 03565_FLUKA; Styren [Czech]; 851588-70-0; NCGC00091056-03; Polystyrene standard, M.W. 30,000, Mw/Mn 1.06; DTXSID2021284; 00928_FLUKA; 5487-EP2298313A1; Polystyrene high Mol. Wt.; 40494-15-3; 5487-EP2275418A1; Styropor (Salt/Mix); RP18837; 55465-00-4; 5487-EP2287168A2; 12770-88-6; 81418_FLUKA; Styrene, 99.5% stab. with 4-tert-Butylcatechol; 81402_FLUKA; 131495-39-1; 5487-EP2270113A1; 11120-46-0; KSC176E4F; 81834-12-0; Polystyrene (100-200 mesh, PEG crosslinked); PhCH=CH2; Styropol (Salt/Mix); 327794_ALDRICH; Styrene 100 microg/mL in Methanol; Vinylbenzol; Styropol SO; Phenylethene; Vinylbenzen [Dutch]; 459364_ALDRICH; NSC-62785; Benzene, ethenyl-; Styron; Cinnaminol; 5487-EP2289883A1; Styrene solution; CHEMBL285235; 1161074-30-1; Chromosorb 103; Stirolo [Italian]; Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-; 53112-49-5; 5487-EP2289896A1; EINECS 273-493-5; Tox21_200808; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; 81407_FLUKA; 5487-EP2305685A1; Styrene monomer, inhibited; Vinyl benzene; 157929-02-7; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; 54596-41-7; 20202_SUPELCO; Ethylene, phenyl-; 5487-EP2280014A2; Styrene, 99%, stabilized 100ml; 5487-EP2380568A1; NCGC00091056-02; 00953_FLUKA; 1083095-63-9; W550159_ALDRICH; Polystyrene solution; Annamene; Chromosorb 101; 25038-60-2; 2-phenylethenyl; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; 00949_FLUKA; Polystyrene standard, M.W. 290,000, Mw/Mn 1.06; 68987-41-7; Ethylbenzene alkylate; 143365-EP2292620A2; Styreen; 86090-91-7; 327719_ALDRICH; 219782-52-2; 441772-62-9; 53986-84-8; 5487-EP2380867A1; 487021-46-5; 359762-95-1; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; KB-60631; 117294-EP2298762A2; 25086-18-4; 53395_FLUKA; 00946_FLUKA; 57657-06-4; 726192-11-6; Tox21_113245; 5487-EP2301924A1; NSC 62785; BIDD:ER0247; 39470-87-6; 143365-EP2287165A2; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; DSSTox_RID_76057; Phenylethylene, inhibited; 327824_ALDRICH; EC 202-851-5; 1198090-46-8; AC1Q2AAB; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; 5487-EP2311804A2; Polystyrene,flame retarding and impact resistant; 5487-EP2308832A1; 51876_FLUKA; 68441-35-0; Vinyl-benzene; 60880-98-0; DSSTox_CID_1284; 9044-64-8; Polystyrene standard, M.W. 5,200, Mw/Mn 1.06; STYRENE; NCGC00258362-01; Vinylbenzene; 23065-05-6; 644984-36-1; Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30; NCI-C02200; 143365-EP2287166A2; c0115; Bulstren K-525-19; 471865-10-8; Polystyrene standard, M.W. 25,000, Mw/Mn 1.06; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Ethylenated benzene; 54578-24-4; 459410_ALDRICH; Polystyrene standard, M.W. 170,000, Mw/Mn 1.06; 81416_FLUKA; 00952_FLUKA; 00948_FLUKA; 8053AF; 00947_FLUKA; 327743_ALDRICH; Ethenylbenzene, 9CI; Polystyrene med Mol. Wt.; S0095; AN-24550; 5487-EP2311798A1; Styrene polymer-bound; 81401_FLUKA; 5487-EP2314577A1; 124229-31-8; CTK0H6242; Phenylethylene; Polystyrene latex microsphere, 1 micron, dry form; 459402_ALDRICH; Polystrene Standard broad 350'000; 20225_SUPELCO; Styron (Salt/Mix); Polystyrene standard, M.W. 4,000, Mw/Mn 1.06; 81409_FLUKA; 00926_FLUKA; 55128-06-8; Vinyl-polystyrene; Vinylbenzen [Czech]; 00951_FLUKA; 260975-79-9; 98444-30-5; Styrene monomer; Styrolene; 852837-17-3; ZB015538; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; 5487-EP2284165A1; 120037-99-2; FEMA Number 3234; Diarex hf 77; MCULE-4715354738; 5487-EP2311796A1; 182427_ALDRICH; 172867-64-0; 441147_ALDRICH; 161776-45-0; Styrene monomer, inhibited [UN2055] [Flammable liquid]; 45993_RIEDEL; 327786_ALDRICH; KS-00000VQV; 459372_ALDRICH; 327816_ALDRICH; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Styreen [Dutch]; 81417_FLUKA; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Styrene (monomer); Polystyrene standard, M.W. 123,000, Mw/Mn 1.08; 5487-EP2272849A1; Polystyrene standard, M.W. 900,000, Mw/Mn 1.10; 81403_FLUKA; TRA0031624; Polystyrene standard, M.W. 65,000, Mw/Mn 1.06; 5487-EP2298743A1; 155197-45-8; 63849-49-0; NCGC00091056-04; 81411_FLUKA; 81404_FLUKA; Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g; 5487-EP2272832A1; Polystyrene standard, M.W. 3,350, Mw/Mn 1.10; 459461_ALDRICH; 360046-70-4; ZINC112958499; I01-4405; 9003-53-6; 47745U_SUPELCO; Benzene, ethylenated; Styrol (German); Diarex hf 77 (Salt/Mix); 5487-EP2295438A1; ethenyl-benzene; 117294-EP2275408A1; Polystyrene, minimum number average molecular weight (in amu), 50,000; 37291-EP2311802A1; Polystyrene standard, M.W. 400,000, Mw/Mn 1.06; 20217_SUPELCO; 5487-EP2308857A1; 40257U_SUPELCO; 12627-11-1; UNII-44LJ2U959V; ANW-14280; ZINC968269; 1160710-79-1; C07083; Styrene solution, certified reference material, 200 mug/mL in methanol; 1227265-55-5; 53397_FLUKA; 330353_ALDRICH; 171022-02-9; POLYSTYRENE; Styrol; 459399_ALDRICH; Styrole; Stirolo; Polystrene Standard 88'000; Polystrene Standard broad 206'000; HSDB 171; Chromosorb 106; 327778_ALDRICH; Styropor; RT-000109; 327751_ALDRICH; 5487-EP2292593A2; LS-304; 459380_ALDRICH; 5487-EP2270101A1; 5487-EP2311797A1; 81419_FLUKA; 44LJ2U959V; 5487-EP2314579A1; 5487-EP2298753A1; p-vinyl benzene; 327727_ALDRICH; CAS-100-42-5; A800199; 60328-46-3; AC1L1OWJ; FT-0659991; 5487-EP2311799A1; NSC62785; 81410_FLUKA; MolPort-001-779-766; EINECS 202-851-5; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene standard, M.W. 2,000, Mw/Mn 1.10; FEMA No. 3233; 459356_ALDRICH; BP-13451; 56451-72-0; 81414_FLUKA; Styrene, >=99%; 81408_FLUKA; Cinnamol; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Styrene monomer, inhibited [UN2055] [Flammable liquid]; Styropol; 00954_FLUKA; Z966690906; Polystyrene standard, M.W. 50,000, Mw/Mn 1.06; Benzene-d5, ethenyl-d3-; STL283958; 137262-45-4; 331651_ALDRICH; 450383_ALDRICH; 120534-26-1; CARINE; Chromosorb 103,80/100,50G; 5487-EP2305668A1; Benzene, vinyl-; 144637-93-4; 5487-EP2308865A1; 56748-62-0; 5487-EP2295427A1; 124229-48-7; 330345_ALDRICH; MFCD00008612; WLN: 1U1R; NCGC00091056-05; 5487-EP2272935A1; 60120-16-3; 1187742-34-2; Styrene, ReagentPlus(R), 99.9%; UN2055; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Chromosorb 102; Vinylbenzen; DSSTox_GSID_21284; F1908-0130; 157243-21-5; 430102_ALDRICH; Styrene; 5487-EP2295420A1; Polystyrene, hydrogenated; Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene standard, M.W. 650,000, Mw/Mn 1.06; Styrene-divinylbenzene Copolymer; SC-75569; 48347_SUPELCO |
C8H8 |
104.15 g/mol |
C=CC1=CC=CC=C1 |
|
TCMBANKIN058043 |
safrole |
saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol |
C10H10O2 |
162.19g/mol |
C=CCC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN058046 |
allyl isothiocyanate |
Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard |
C4H5NS |
99.16 g/mol |
C=CCN=C=S |
|
TCMBANKIN058051 |
allicin |
DB11780; 2-Propene-1-sulfinothioic acid, S-2-propenyl ester; P489; CCRIS 9053; 2-propene-1-sulfinothioic acid S-2-propenyl ester; Q-200609; AKOS006282482; allylthiosulfinate; diallyl disulfide-oxide; 3C39BY17Y6; C6H10OS2; Allimed; 4,5-Dithia-1,7-octadiene 4-oxide; SCHEMBL2920; MFCD00468100; AK689144; S-2-Propenyl 2-propene-1-sulfinothioate, 9CI; 3-allylsulfinylsulfanyl-prop-1-ene; S-allyl prop-2-ene-1-sulfinothioate; 2-Propene-1-sulfinic acid, thio-, S-allyl ester; Ambap539-86-6; 2-Propene-1-sulfinothioic Acid S-2-Propen-1-yl Ester; DADSO; I09-1196; JDLKFOPOAOFWQN-UHFFFAOYSA-N; S-Allyl acrylo-1-sulphinothioate; 2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9CI); 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene; UNII-3C39BY17Y6; EINECS 208-727-7; Allisure Liquid; DTXSID6043707; Allylthiosulphinic acid allyl ester; D0X9YD; 4-04-00-00007 (Beilstein Handbook Reference); 539-86-6; GTPL2419; AC1Q6YQJ; CTK1G9488; 3-allylsulfinylsulfanylprop-1-ene; 3-(prop-2-enylsulfinylthio)-1-propene; FCH834824; FT-0082869; BRN 1752823; S-prop-2-en-1-yl prop-2-ene-1-sulfinothioate; S-allyl 2-propene-1-sulfinothioate; AC1L22G8; Diallyl thiosulfinate; CHEMBL359965; M-2984; BDBM50240948; 539A866; 3-prop-2-enylsulfinylsulfanylprop-1-ene; Thio-2-propene-1-sulfinic acid S-allyl ester; Diallyldisulfid-S-oxid; Alliosan; 2-Propene-1-sulfinothioic acid S-2-propenyl ester; RP18058; FT-0621982; C07600; LS-123525; UNII-3C39BY17Y6 component JDLKFOPOAOFWQN-SECBINFHSA-N; UNII-3C39BY17Y6 component JDLKFOPOAOFWQN-VIFPVBQESA-N; CHEBI:28411; NSC-707388; A829889; AN-45729; MolPort-006-147-918; Allicin; Garlic extract; NSC707388; allimin |
C6H10OS2 |
162.27 |
C=CCSS(=O)CC=C |
|
TCMBANKIN058052 |
diAllS2 |
3-prop-2-enyldisulfanylprop-1-ene; NSC 29228; Di(2-propenyl) disulfide; W202800_ALDRICH; Allyl disulphide; 3,3'-dithiobis(prop-1-ene); NCI60_002410; ZINC01531082; AI3-35128; SPECTRUM1505174; HSDB 595; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2179-57-9; Allyl disulfide; AIDS-005092; BRN 1699241; Diallyl disulphide; NCGC00095294-01; NSC29228; CHEBI:4488; Disulfide, di-2-propenyl; AIDS005092; C08369; 317691_ALDRICH; 3-allyldisulfanylprop-1-ene; 2-Propenyl disulfide; 3,3'-disulfanediylbis(prop-1-ene); 3-(allyldisulfanyl)-1-propene; 4,5-Dithia-1,7-octadiene; 4-01-00-02098 (Beilstein Handbook Reference); FEMA No. 2028; NCGC00095294-02; EINECS 218-548-6; 32621_FLUKA; CCRIS 6290; Diallyl disulfide; 2-Propenyl disulphide;allyl disulfide;diallyldisulfide;CAS-2179-57-9; DSSTox_RID_79248; CCG-214421; NCI60_002410; C-27435; Jsp004430; AI3-35128; HSDB 595; di-Propenyl disulfide; Allyl disulfide; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; SPECTRUM1505174; ZINC1531082; LS-16413; NCGC00095294-01; DTXSID9035206; TC-040016; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; CHEBI:4488; SCHEMBL93944; MolPort-003-665-653; SR-05000002379; MFCD00008656; Garlicin?; DSSTox_CID_15206; CJ-24085; NSC-29228; Disulfide,di-2-propenyl; TRA0072391; FCH1114751; 2-Propenyl disulphide; Di(2-propenyl) disulfide; 3-(Allyldisulfanyl)-1-propene; 3-Allyldisulfanyl-Propene; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard; AN-20744; FEMA 2028; diAllS2; CTK3J1568; CHEMBL366603; J-014293; Allitin; ACMC-1CDL1; Allyl disulfide, >=80%, FG; BDBM50318453; AC1L28A0; Disulfide, di-2-propen-1-yl; 1,2-Diallyldisulfane; A815665; FEMA No. 2028; 7491AF; NCGC00095294-02; API0002303; AKOS015840490; AK307043; ANW-24581; 3-(prop-2-enyldisulfanyl)prop-1-ene; 5HI47O6OA7; NSC 29228; DB-003623; Allyl disulphide; diprop-2-enyl disulfide; CJ-05228; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, technical grade, 80%; DIALLYL DISULFIDE; 2179-57-9; Diallyldisulfide; ST51038174; KS-00000V5X; 3-(Allyldisulfanyl)-1-propene #; Diallyl disulfide, analytical standard; C6H10S2; 2-Propenyl disulfide; 4,5-Dithia-1,7-octadiene; D0071; EINECS 218-548-6; Diallyl disulfide, >=98% (HPLC); CCRIS 6290; PFRGXCVKLLPLIP-UHFFFAOYSA-N; Tox21_302178; MCULE-7486690483; UNII-5HI47O6OA7; 3-(allyldisulfanyl)prop-1-ene; Di-2-propenyl disulfide, 9CI; I09-0165; RTC-040016; KSC491K6R; NCGC00255533-01; BRN 1699241; Diallyl disulphide; NSC29228; DSSTox_GSID_35206; Disulfide, di-2-propenyl; CC-26440; C08369; 3,3'-disulfanediylbis(prop-1-ene); SC-77190; di-2-Propenyl disulfide; diallyldisulphide; 3-(prop-2-enyldisulfanyl)-1-propene; AC1Q7EA7; FT-0624594; SR-05000002379-1;diallyl disulfide ; diallyl disulfide |
C6H10S2 |
146.27 |
C=CCSSCC=C |
|
TCMBANKIN058055 |
divinyl sulfide |
627-51-0; ethenylsulfanylethene; Vinyl sulfide; UNII-CL87X0NVJA; Ethene, 1,1'-thiobis-(9CI); 3-Thia-1,4-pentadiene; Vinyl sulfide, 8CI; (ethenylsulfanyl)ethene; BRN 1733369; thiodiethylene; Ethene, 1,1'-thiobis-; diethenyl sulfide; UIYCHXAGWOYNNA-UHFFFAOYSA-N; CTK5B5879; 1,1'-Thiobis-Ethene; (CH2=CH)2S; Divinyl thioether; AC1L1ZC9; LS-67660; 1,1'-Thiobisethene, 9CI; InChI=1/C4H6S/c1-3-5-4-2/h3-4H,1-2H; 1-(Vinylsulfanyl)ethylene #; DTXSID10211766; 1,1'-THIOBISETHENE; CL87X0NVJA; Divinyl sulfide; 1-(Vinylsulfanyl)ethylene |
C4H6S |
86.16 g/mol |
C=CSC=C |
|
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 |
|
TCMBANKIN058066 |
Tannic acid (Corilagin) |
1,3,6-Tri-O-galloyl-b-D-glucose; Glucopyranose, 1,3,6-trigallate, gallotannin, gallotannins, beta-D-; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; .beta.-D-Glucopyranose 1,3,6-trigallate; .beta.-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); 1,3,6-Tri-O-galloyl-b-D-glucopyranose; 1,3,6-Trigalloyl-beta-glucose; beta-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001387; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)carbonyloxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; Glucopyranose, 1,3,6-trigallate, .beta.-D-; AIDS002286; AIDS-002286; ACon1_002062; beta-D-Glucopyranose 1,3,6-trigallate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; Quebracho; (1S,18R,20S,21S,22S)-6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,19-trioxatetracyclo[16.3.1.0;{4,9}.0;{10,15}]docosa-4(9),5,7,10,12,14-hexaen-20-yl 3,4,5-trihydroxybenzoate; gallotannin |
C76H52O46 |
636.5 g/mol |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)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 |
|
TCMBANKIN058089 |
Norathyriol |
1,3,6,7-tetrahydroxy-9-xanthenone; DTXSID30188901; 1,3,6,7-Tetrahydroxyxanthen-9-one; SCHEMBL2418732; ACN-049134; NP-005102; AKOS028108772; norathyriol ; W2659; AIDS011168; 1,3,6,7-Tetrahydroxyxanthone; AIDS-011168; 3542-72-1; 1,3,6,7-Tetrahydroxyxanthonin; norathyriol; AC1NQYTS; MolPort-001-741-798; 58383-15-6; BG00966136; 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-; 1,3,6,7-Tetrahydroxy-xanthen-9-one; 4CN-2425; ZINC6090922; 2,4,6,7-Tetrahydroxyxanthone; CHEBI:7622; CHEMBL187265; BDBM50155447; C10086; NRA; 1,3,6,7-Tetrahydroxyxantone; 1,3,6,7-TETRAHYDROXY-9H-XANTHEN-9-ONE; MCULE-4986517729; 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-; 1,3,6,7-tetrahydroxyxanthone |
C13H8O6 |
260.2 |
C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O |
|
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 |
|
TCMBANKIN058108 |
2',3',5,7-tetrahydroxyflavone |
4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromone; 74805-70-2; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;5,7,2',3'-tetrahydroxyflavone;5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 4H-1-Benzopyran-4-one,2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; AKOS030553571; 74805-70-2; LMPK12110137; SCHEMBL9148162; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; DTXSID60225777; CTK5E0539; AK583616; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 2',3',5,7-tetrahydroxyflavone; AC1NT0WV |
C15H10O6 |
286.24g/mol |
C1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058109 |
Pyrogallic acid |
PYG;1,2,3-Benzenetriol; Benzene, 1,2,3-trihydroxy-; 1,2,3-Trihydroxybenzene; BRN 0907431; Pyro; Piral; AIDS-002956; Fouramine Brown AP; ZINC00330141; P0381_SIGMA; 1,2,3-TRIHYDROXY-BENZENE; SMR000471842; 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; WLN: QR BQ CQ; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; CI Oxidation Base 32; AIDS082397; Pyrogallol polymer; AIDS-082397; CCRIS 1940; Fourrine 85; C.I. 76515; fouramine base ap; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9; AIDS002956; Pyrogallic acid; C.I. Oxidation Base 32; AI3-00709; C01108; 254002_SIAL; Pyrogallol solution; CI 76515; HSDB 794; 87-66-1; CHEBI:16164; 83135_FLUKA; GMN; MLS001066376; Pyrogallol; C.I. Oxidation Base 32; 16040_RIEDEL; PYROP; Fourrine PG; 4-06-00-07327 (Beilstein Handbook Reference); BENZENE-1,2,3-TRIOL; NCGC00091507-01; AB-131/40221933; NSC5035; EINECS 201-762-9; c0025; NSC 5035;pyrogallol;Gallic phenol |
C6H6O3 |
126.11 g/mol |
C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
|
TCMBANKIN058115 |
chicoric acid |
chicoricacid; cichoric acid; l-chicoric acid; dicaffeoylt artaric acid |
C22H18O12 |
474.4 g/mol |
C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O |
|
TCMBANKIN058122 |
piceatannol |
(e)-piceatannol; NCGC00015794-01; 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(Z)-2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol; Lopac-P-0453; PIT; e-piceatannol; (e)-piceatannol; 5-[(Z)-2-(3,4-dihydroxyphenyl)vinyl]resorcinol; NCGC00094226-05; 5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]resorcinol; KBio3_000859; IDI1_002155; 3,3',4,5'-Tetrahydroxystilbene; 3,3',4,5'-Stilbenetetrol; C05901; EU-0100915; NSC 622471; 1,2-Benzenediol, 4-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-; 3,3',4'5-Tetrahydroxystilbene; 5-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol; NSC365798; Lopac0_000915; 5-[2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol; 5-[2-(3,4-dihydroxyphenyl)vinyl]resorcinol; MEGxp0_000245; KBio2_000460; SMP2_000263; trans-3,3′,4,5′-Tetrahydroxystilbene; 1,2-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-; 21100-92-5; trans-3,3',4,5'-Tetrahydroxystilbene; 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol; AIDS-160223; (E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediol; Piceatannol; NSC 365798; 4339-71-3; E-Piceatannol; 3-Hydroxyresveratol; 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol; KBio2_005596; 10083-24-6; NCGC00094226-04; BiomolKI2_000031; 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol; KBioGR_000460; Bio2_000880; KBioSS_000460; NSC622471; KBio2_003028; 5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol; KBio3_000860; 3,5,3',4'-Tetrahydroxystilbene; 1,2-Benzenediol, {4-[2-(3,} 5-dihydroxyphenyl)ethenyl]-, (E)-; BSPBio_001120; NCGC00094226-02; NCI60_003368; 1,2-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-, (E)-; Astringinine; P0453_SIGMA; BiomolKI_000023; AIDS160223; CHEBI:28814; 4-(2-(3,5-Dihydroxyphenyl)vinyl)-1,2-benzenediol; Bio2_000400; 3,3′,4,5′-Tetrahydroxy-trans-stilbene; K00089; ZINC00014036 |
C14H12O4 |
244.24 g/mol |
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O |
|
TCMBANKIN058125 |
cyanidol |
Cyanidin-3-monogalactoside_qt; cyanidin chloride; cyanidin 3,5-di-O-glycoside_qt; cyanidolchloride; Wild groundnut red_qt; cyanidin; cyanidin 3-glucoside_qt; chrysanthemin_qt; cyanidin-3-glucoside_qt; Cyanin_qt; cyanidin-3-rutinoside_qt; Cyanidin 3-O-glucoside_qt; cyanidin ; 2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3,5-diolate; cyanidin(1-); CHEBI:71682; cyanidin |
C15H11O6+ |
287.24 g/mol |
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O |
|
TCMBANKIN058129 |
quercetin-3-O-β-D-glucuronide |
Quercetin-3-o-β-D- glucuronide; quercetin-3-o-beta-d-glucuronide; Quercetin 3-O-glucuronide; quercetin-3-o-glucuronide |
C21H18O13 |
478.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
|
TCMBANKIN058130 |
quercetin-３-Ｏ-galactoside |
hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside |
C21H19O12- |
463.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
|
TCMBANKIN058145 |
cinaroside |
Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside |
C21H20O11 |
448.4 g/mol |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
|
TCMBANKIN058148 |
6-OH-Luteolin |
6-hydroxyluteolin;2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-chromone; C10072; 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one; CHEBI:2197; 18003-33-3; 6-Hydroxyluteolin; 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one; 5,6,7,3',4'-Pentahydroxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-; 3',4',5,6,7-Pentahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-chromen-4-one |
C15H10O7 |
302.24 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)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 |
|
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 |
|
TCMBANKIN058180 |
naphthazarin |
5,8-dihydroxy-2,3-dihydronaphthalene-1,4-dione; A827266; SCHEMBL13568681; 1,4-Naphthalenedione, 2,3-dihydro-5,8-dihydroxy-; 5,8-bis(oxidanyl)-2,3-dihydronaphthalene-1,4-dione; 4988-51-6; 5,8-Dihydroxy-1,4-tetralindione; AKOS022505654; 5,8-dihydroxytetralin-1,4-dione; AJ-69959; DTXSID40450045; naphthazarin ; 2.3-Dihydro-naphthazarin; MCULE-8216200508; ZINC17111188; CTK1D0318; NSC344555; 1,4-Naphthalenedione, 5,8-dihydroxy-; AIDS-005214; 1,4-Naphthoquinone, 5,8-dihydroxy-; 5,8-Dihydroxy-1,4-naphthosemiquinone; Naphthazarin; 37790_FLUKA; InChI=1/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12; 388513_ALDRICH; 5,8-Dihydroxynaphthaquinone; ZINC00901191; 475-38-7; NSC 26647; 5,8-Dihydroxynaphthoquinone; C01938; Naphthazarone; NCI60_002143; 1,4-Naphthalenedione, 5,8-dihydroxy- (9CI); EINECS 207-495-4; AIDS005214; NSC26647; 5,8-dihydroxynaphthalene-1,4-dione; Dihydroxynaphthoquinone; 5,8-Dihydroxy-1,4-naphthalenedione; NAPTHAZARIN NPHZ; Naphthazarine; 5,8-Dihydroxy-1,4-naphthoquinone; CCRIS 6670; DHNQ |
C10H6O4 |
190.15 g/mol |
C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O |
|
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 |
|
TCMBANKIN058194 |
bisdemethoxycurcumin |
C17743; MolPort-001-742-514; MEGxp0_001762; InChI=1/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13; SMR001397224; MCULE-7789528500; MLS002473127; (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-,(1E,4Z,6E)-; NCGC00179852-01; bis demethoxy curcumin; 1,7-Bis(4-hydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one; NP-010021; ZINC100067315; VUF-9014; HMS2224E08; AC1NT56O; CHEMBL131770; ACon1_002080; BDBM50145907; (1E,4Z,6E)-1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1,4,6-heptatriene-3-one; 52328-96-8; SCHEMBL609967; p,p-hydroxy-curucumin;curcumin iii;bis(4-hydroxycinnamoyl)methane |
C19H16O4 |
308.33 |
C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O |
|
TCMBANKIN058205 |
trans-resveratrol |
(E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; SRT501; AX8004672; DB02709; RP17549; NCGC00017352-05; NCGC00017352-13; NCGC00017352-19; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; 4CN-0696; I06-0437; 3,4',5-Trihydroxy-trans-stilbene; (E)-5-[2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; s1396; HMS1990H15; SAM001246888; CPD000058206; CU-01000001503-3; BPBio1_000479; NCGC00024003-14; (E)-5-(p-Hydroxystyryl)resorcinol; FT-0082623; Tox21_501111; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; 01R360; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Tox21_303376; MLS001055357; NCGC00024003-13; GP5884; A827984; resveratrol; NCGC00017352-09; NCGC00017352-15; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; NCGC00024003-11; D0U3EP; ACN-034773; ST057251; EU-0101111; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1; HY-16561; N1848; ACT09778; NCGC00017352-17; BRD-K80738081-001-09-6; KUC104385N; 3,4',5-Trihydroxy-trans-stilbene 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol; LUKBXSAWLPMMSZ-OWOJBTEDSA-N; STL; MLS001424228; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzoldiol; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol; HMS1569F17; Resveratrol, Vetec(TM) reagent grade, 98%; HMS1921N04; IDI1_002152; Resvida; KB-02515; SR-01000000163-10; NCGC00017352-08; AB00052942_31; 3,5,4'-Trihydroxystilbene; trans-Stilbene-3,4',5-triol; Tox21_110257; NCGC00024003-12; trans-3,4′,5-Trihydroxystilbene; trans-3,4',5 - trihydroxystilbene; ZB000650; ZINC6787; DSSTox_RID_78898; NCGC00024003-09; 3fts; BB_NC-2570; SRT-501; ZX-AS004941; 5-[(E)-2-(4-Hydroxyphenyl)ethenyl]benzol-1,3-diol; BRD-K80738081-001-23-7; trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene; NSC327430; LS-2146; (E)-5-(4-Hydroxystyryl)benzene-1,3-diol; NCGC00024003-04; DSSTox_CID_11980; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3,benzenediol; Prestwick3_000508; trans-Resveratrol, United States Pharmacopeia (USP) Reference Standard; Resveratrol, European Pharmacopoeia (EP) Reference Standard; NCGC00015894-02; ARONIS24568; STL146386; R 5010; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-; AC1L9HIC; BSPBio_003461; REGID_for_CID_445154; C14H12O3; SR-01000000163-11; 501-36-0; C03582; SRT 501; NSC 327430; NSC-327430; Spectrum5_000552; AS-12413; Trans-3,4′ NCGC00024003-06; AKOS005720936; BG01529320; BBC/741; HMS1792H15; NCGC00258925-01; TL8003323; AB00052942-29; SR-01000000163-4; SR-01000000163-16; BSPBio_000435; Opera_ID_586; NC00349; 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-; ZX-AT013797; 375823-41-9; HMS3403H15; 3,4',5-Trihydroxystilbene; HMS2232A18; KSC-10-164; AN-865; LMPK13090005; AJ-08292; OR46018; R0071; CHEMBL165; BRD-K25591257-001-01-2; Resveratrol, E-; BBL028252; NCGC00024003-05; LP01111; UNII-Q369O8926L; CCG-38874; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol; MFCD00133799; 2l98; BDBM23926; SGCUT00007; GP2549; Resveratrol, trans-; CC-34242; ST2408097; MLS001076538; AK-39118; HMS1362H15; NCGC00024003-07; ABP000376; SBB055452; NCGC00017352-16; trans-3,5,4'-Trihydroxystilbene3,4',5-Stilbenetrioltrans-Resveratrol(E)-5-(p-Hydroxystyryl)resorcinol(E)-5-(4-hydroxystyryl)benzene-1,3-diol; 5-[(1E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; Tox21_110257_1; BRD-K80738081-001-06-2; Resveratrol, certified reference material, TraceCERT(R); 3,4',5-Stilbenetriol; MCULE-5678456463; J10118; BSPBio_001114; HMS2052I09; Resveratrol, >=99% (HPLC); CS-1050; SCHEMBL19425; 5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1,3-diol; Resveratol; (E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; HMS3263O04; 4jaz; AB0006623; CAS-501-36-0; CCRIS 8952; MLS000069735; trans-3,4',5-trihydroxystilbene; 4qer; Tox21_201374; to_000079; SPECTRUM1502223; BC202036; API0000480; NCGC00017352-10; CHEBI:27881; NCGC00017352-24; SY014849; 3,4',5-trihydroxy-stilbene; NCGC00017352-06; PREVENTION 8 (RESVERATROL); MolPort-002-499-801; (E)-resveratrol; BCPP000091; Prestwick_619; 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol; SMR000058206; cid_445154; Q369O8926L; Resveratrol, analytical standard; DSSTox_GSID_31980; NCGC00017352-11; AC-727; HMS2096F17; BS0159; 5-[2-(4-hydroxyphenyl)vinyl]-1,3-benzenediol; BRD-K80738081-001-10-4; NCGC00017352-12; MLS002222231; Resveratrol, natural; Lopac0_001111; BR-39118; CJ-00111; NCGC00017352-07; DTXSID4031980; CR-003; Stilbene, 2f; NCGC00017352-18; NCGC00024003-10; SC-11924; SR-01000000163-3; MLS002207121; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; NCGC00024003-00; HMS3649A20; KS-5047; 1,3-Benzenediol, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-; NCGC00017352-14; HSDB 7571; NCGC00024003-08; 533C1DA0-4104-42B5-9D32-9265F40857E4; RM-1812; REGID_for_CID_6240; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; SDCCGMLS-0002998.P003; BIK9013; NCGC00257465-01; GTPL8741; BG00606847; NCGC00261796-01; CHEBI:45713; SR-01000000163; Resveratrol, synthetic; SR-01000000163-9; Prestwick2_000508; N88795; 3,5,4'-Trihydroxy-trans-stilbene; resveratrol; 1,3-Benzenediol, 5-((1Z)-2-(4-hydroxyphenyl)ethenyl)-; cis-3,5,4'-trihydroxystilbene; AIDS025474; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; SPBio_002356; BPBio1_000479; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Spectrum4_001896; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; EU-0101111; ST057251; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1; resveratrol ; KBioSS_000454; 1684AH; Spectrum3_001821; STL; CHEBI:36002; SPBio_001513; IDI1_002152; Prestwick1_000508; 05F9DB2A-D7E6-4063-8E5B-F7842CF74A5E; 3,5,4'-Trihydroxystilbene; 3,4',5-trihydroxy stilbene; (Z)-resveratrol; 5-[(Z)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; trans-3,4′,5-Trihydroxystilbene; 31100-06-8; 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Cis resveratrol; SRT-501; NSC327430; 3,4′,5-Trihydroxy-trans-stilbene; Spectrum_001148; 5-[(1Z)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; NCGC00024003-04; Prestwick3_000508; NCGC00015894-02; Z-5-[2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; NCGC00017352-03; SCHEMBL1931746; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-; BSPBio_003461; Bio2_000877; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-; 31100-06-8 (DELETED); Z-Resveratrol; UNII-AUA0K06FSB; 501-36-0; C03582; AKOS025395422; KBio2_004196; KBio3_002965; Prestwick0_000508; NSC 327430; 34092_RIEDEL; KBio3_000848; NCGC00017352-02; Spectrum5_000552; MolPort-003-850-143; NCGC00024003-06; KBio2_005590; SpecPlus_000391; AC1LU7HY; AUA0K06FSB; KBioGR_000454; AIDS-025474; BSPBio_000435; cis-resveratrol; KBio2_006764; KBio2_001628; KBioGR_002457; CHEMBL87333; 3,4',5-Trihydroxystilbene; Lopac-R-5010; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol; KBio2_000454; Resveratrol, (Z)-; SGCUT00007; CJ-13797; NCGC00024003-07; Resveratrol (Z)-form [MI]; NCGC00017352-01; I14-7425; DivK1c_006487; MolMap_000045; 3,4',5-Stilbenetriol; Oprea1_727238; Tocris-1418; DB-072954; NCGC00017352-04; BSPBio_001114; BDBM50131698; 434C671; LUKBXSAWLPMMSZ-UPHRSURJSA-; KBio3_000847; CAS-501-36-0; SMP1_000257; 4q93; MLS000069735; cis-5-[2-(4-Hydroxyphenyl)ethenyl]benzene-1,3-diol; ZINC00006787; (Z)-3,5,4'-trihydroxystilbene; to_000079; SPECTRUM1502223; trans-Resveratrol; R5010_SIGMA; KBio2_003022; 61434-67-1; NCGC00024003-02; NCGC00015894-01; CHEBI:27881; Resveratrol; AC-24235; (E)-resveratrol; Prestwick_619; 5-[2-(4-hydroxyphenyl)vinyl]resorcinol; SMR000058206; TNP00294; Resveratrol, Z-; ZINC12353732; Lopac0_001111; cis-3,4',5-trihydroxystilbene; NCI60_002840; 5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol; Bio2_000397; NCGC00024003-00; (Z)-3,4',5-trihydroxystilbene; 3,5-Dihydroxy-4'-methoxystilbene; 3, 5,4'-trihydroxy-trans-stilbene; cis-3,4,5-Trihydroxystilbene; NCGC00024003-08; RM-1812; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; 5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; SDCCGMLS-0002998.P003; KBioSS_001628; KBio1_001431; 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CHEBI:45713; Spectrum2_001497; Prestwick2_000508; 3,5,4'-Trihydroxy-trans-stilbene |
C14H12O3 |
228.24 g/mol |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
|
TCMBANKIN058213 |
kaemferol;kampferol;kaempferol;campherol |
TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN058215 |
kaempferol-3-o-beta-d-glucoside |
kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside |
C21H20O11 |
448.38 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN058221 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN058226 |
scutellarein |
ZINC00899075; AC-11200; ST50331621; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Isocarthamidin; AN-45602; MFCD00017692; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromone; 6-Hydroxyapigenin; N2093; P460GTI853; 5,6,7,4'-Tetrahydroxyflavone; 4',5,6,7-Tetrahydroxyflavanone; AK198746; 6-Hydroxyapigenin;4,5,6,7-Tetrahydroxyflavone; C10184; 529-53-3; AC1NQYX1; Scutellarein, >=98% (HPLC); AKOS015960467; UNII-P460GTI853; Scutellarein; AIDS000486; D00LMG; DTXSID40200946;4',5,6,7-tetrahydroxyflavanone; HY-N0752; SCHEMBL142093; LMPK12111160; SC-65770; BG01578503; BDBM23411; A829325; scutellarein ; SCUTELLARTLN; Y0183; Q-100602; FT-0674545; AS-19541; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; AIDS-000486; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CHEBI:9062; ZINC5842416; MolPort-003-724-680; AB0035788; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; Flavonoid; API0004145; JVXZRQGOGOXCEC-UHFFFAOYSA-N; KS-00000HCF; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; 2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one; LS-39816; 529S533; ST5331621; 4',5,6,7-tetrahydroxyflavone; CHEMBL55415; 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CS-5596 |
C15H10O6 |
286.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O |
|
TCMBANKIN058229 |
daidzein |
Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 |
C15H10O4 |
254.24 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN058230 |
kakonein |
puerarin;puerarin-4'-o-d-glucoside;8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one; NPI-31G; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; SCHEMBL14329031; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 82435_FLUKA; daidzein 8-C-glucoside; Puerarin; P5555_SIGMA; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 3681-99-0; ANGC-3681-99-0; 8-(beta-D-Glucopyranosyl)-4',7-dihydroxyisoflavone; C10524; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C21H20O9 |
416.4 g/mol |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)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 |
|
TCMBANKIN058262 |
6-demethoxycapillarisin |
Demethoxycapillarisin;5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one; demethoxycapillarisin; 6-Demethoxycapillarisin; 5,7-dihydroxy-2-(4-hydroxyphenoxy)chromone; 5,7-dihydroxy-2-(4-hydroxyphenoxy)-4-chromenone; 61854-36-2 |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1O)OC2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058264 |
Skimmetin |
Hydrangin; AI3-38054; ACon1_000219; Coumarin, 7-hydroxy-; SPBio_002083; H24003_ALDRICH; EINECS 202-240-3; CCRIS 3591; MEGxp0_000814; 7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-2-chromenone; BSPBio_002362; NSC19790; 7 HC; Spectrum2_001962; Hydrangine; NSC 19790; ST5308216; 93979_FLUKA; 5-18-01-00386 (Beilstein Handbook Reference); NCGC00095801-01; Skimmetine; BRN 0127683; SPECTRUM231084; beta-umbelliferone; 7-Hydroxycoumarin; Umbelliferon; 7-hydroxy-2H-chromen-2-one; CHEBI:27510; AIDS-005662; Umbelliferone; .beta.-Umbelliferone; Spectrum3_000751; 2H-1-Benzopyran-2-one, 7-hydroxy-; 7-Oxycoumarin; C09315; ZINC00058111; 7-hydroxychromen-2-one; NCI60_001646; 93-35-6; InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10; SDCCGMLS-0066941.P001; AIDS005662; KBio3_001582 |
C9H6O3 |
162.14 |
C1=CC(=CC2=C1C=CC(=O)O2)O |
|
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 |
|
TCMBANKIN058289 |
benzophenone |
WLN: RVR; 427551_ALDRICH; NSC 8077; Ketone, diphenyl; .alpha.-Oxoditane; Mettler Toledo Calibration substance ME 18870, Benzophenone; alpha-Oxodiphenylmethane; alpha-Oxoditane; NSC8077; AIDS-017932; Benzene, benzoyl-; EINECS 204-337-6; 442842_SUPELCO; W213403_ALDRICH; Methanone, diphenyl-; AIDS017932; HSDB 6809; CCRIS 629; 239852_SIAL; NCGC00090787-04; di(phenyl)methanone; Diphenyl ketone; 73664_FLUKA; ZINC00968233; AI3-00754; UPCMLD-DP071:001; Benzophenone; Diphenylmethanone; BENZOPHENONE (8CI); NCGC00090787-01; .alpha.-Oxodiphenylmethane; Caswell No. 081G; Diphenylketone; Benzoylbenzene; NCGC00090787-03; METHANONE, DIPHENYL- (9CI); ST5214455; B9300_SIAL; FEMA No. 2134; C06354; 119-61-9; InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10; EPA Pesticide Chemical Code 000315; CHEBI:41308; BENZOPHENONE (DIPHENYL-KETONE); Phenyl ketone; BZQ |
C13H10O |
182.22 g/mol |
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
|
TCMBANKIN058310 |
cinnamaldehyde |
trans-Cinnamaldehyde, >=98%, FCC, FG; (E)-3-phenylacrolein; DSSTox_GSID_24834; 3-Phenyl-2-propenal; LS-378; UNII-SR60A3XG0F; (3E)-3-phenylprop-2-enal; Cinnamal; ZINC1532777; CS-0009609; (trans)-cinnamaldehyde; NSC-16935; NCGC00091512-02; NSC 16935; ST50213393; D0PJ3M; Aldehyd skoricovy; MolPort-004-288-292; Abion CA; BRN 1071571; 2-propenal, 3-phenyl-, (2E)-; trans-3-Phenylacrolein; FEMA No. 2286; transcinnamaldehyde; Cinnamaldehyde, trans-; Cinnamic aldehyde; DTXSID6024834; 3-Phenylpropenal; 3-Phenyl-2-propen-1-al; 3-phenylprop-2-enal; Cinnamaldehyde (trans), neat; AIDS-097032; BB_NC-2240; trans-Cinnamic aldehyde; NSC40346; TRANS-CINNAMALDEHYDE (SEE ALSO CINNAMALDEHYDE (104-55-2)); CCRIS 6222; trans-3-Phenyl-2-propenal; 3-Fenylpropenal [Czech]; CCRIS 3189; BBL010378; MLS002454394; SCHEMBL3441; NCGC00091512-05; ST5213393; AIDS097032; CNMA; CAS-14371-10-9; Zimtaldehyde; (2E)-3-phenylprop-2-enal; Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard; InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4; NCGC00259353-01; 2-Propenal, 3-phenyl-, (E)- (9CI); Cassia aldehyde; 3-Phenylacrylaldehyde; 3-Phenylacrolein; NCGC00257017-01; M181; SR60A3XG0F; W228605_ALDRICH; 14371-10-9; Hefty Dog and Cat Repellent; trans cinnamic aldehyde; (E)-Cinnamic aldehyde; NCI-C56111; NSC16935; BDBM50203065; 2-Propenal, 3-phenyl-; (2E)-3-phenylacrylaldehyde; AK-77787; A801001; trans-Cinnamaldehyde, >=99%; GTPL2423; CINNAMALDEHYDE (TRANS); AS-12078; Benzylideneacetaldehyde; Cinnamaldehyde [NF]; BRN 0605737; DB-003796; AC1LCUDE; 58840-EP2308879A1; trans-3-Phenylacrylaldehyde; 2-propenal,3-phenyl-,(E)-; NSC-40346; TR-001003; Tox21_111144; W228613_ALDRICH; 58840-EP2305682A1; STK397371; (2E)-3-Phenyl-2-propenal; KB-81236; NCGC00091512-06; C00903; cinnamaldehyde ; Cinnamaldehyde, (E)-; trans-Cinnamaldehyde, 99%; Tox21_201804; 2-Propenal, 3-phenyl-, (E)-; AK158901; AI3-00473; (E)-3-Phenyl-2-propenal; 104-55-2; MFCD00007000; 96320_FLUKA; R501736; ST24024694; (E)-3-phenyl-acrylaldehyde; 239968_ALDRICH; AJ-26812; Phenylacrolein; trans-Cinnamaldehyde; Aldehyd skoricovy [Czech]; ST2407775; W-205597; Cinnamylaldehyde; LS-850; EINECS 203-213-9; AC1Q6PPL; RL00215; ZINC01532777; ACN-035400; bmse010257; 4-07-00-00984 (Beilstein Handbook Reference); C9H8O; (E)-3-Phenyl-propenal; trans-Cinnamaldehyde, analytical standard; Cinnamic aldehyde (natural); NCGC00091512-07; trans-Cinnamylaldehyde; Tox21_303271; EC 203-213-9; C80687_ALDRICH; EPA Pesticide Chemical Code 040506; Cinnamyl aldehyde; RTR-001003; SMR000112334; AN-24684; beta-phenylacrolein; cinnamic aldehyde, (E)-isomer; CHEBI:16731; WLN: VH1U1R; I14-109742; (E)-3-phenylacrylaldehyde; RT-001454; I14-7336; 2-07-00-00273 (Beilstein Handbook Reference); Epitope ID:150921; trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde; NCGC00091512-01; DSSTox_RID_77548; AC1Q6BJW; trans cinnamaldehyde; CHEMBL293492; SBB028652; (E)-3-phenyl-2-propenal(E)-cinnamaldehyde; 3-Fenylpropenal; (E)-phenylvinyl aldehyde; trans-Cinmaldehyde; KJPRLNWUNMBNBZ-QPJJXVBHSA-N; Nat. Cinnamaldehyde; (E)-Cinnamaldehyde; NATURAL CINNAMIC ALDEHYDE; FEMA Number 2286; HMS2268O08; AKOS000119171; Cinnemaldehyde; beta-Phenylcrolein; SC-19143; HSDB 209; B99DD6C7-1C6D-4FE3-A172-54BFDB987683; 3-PHENYL-2-PROPENAL (TRANS); CINNAMALDEHYDE; Cinnamaldehyde, Vetec(TM) reagent grade, 93%; AI3-33275; NCGC00091512-04; e-cinnamaldehyde; Cinnamaldehyde, natural, >=95%, FG; (E)-3-phenylprop-2-enal; Acrolein, 3-phenyl-; AM20060482; BG01497386; 3-Phenyl-2-propenaldehyde; N1482; Cinnamaldehyde, 95% 100g; KB-76097; Caswell No. 221A; CINNAMALDEHYDE (SEE ALSO TRANS-CINNAMALDEHYDE (14371-10-9)); CJ-24256; DSSTox_CID_4834; MolPort-000-871-213; (E)-3-Phenylpropenal; Cinnamaldehyde, Natural; Trans- cinnamic aldehyde;(E)-Cinnamaldehyde;3-phenylpropenal;3-phenyl-2-propenalTrans- cinnamic aldehyde;(E)-Cinnamaldehyde;3-phenylpropenal;3-phenyl-2-propenal |
C9H8O |
132.16 |
C1=CC=C(C=C1)C=CC=O |
|
TCMBANKIN058319 |
chrysin |
NCI60_003886; AIDS-001398; NCGC00094842-05; Spectrum5_001503; 5,7-dihydroxy-2-phenyl-chromen-4-one; 5,7-dihydroxy-2-phenyl-4H-chromen-4-one; CAS-480-40-0; AIDS001398; Spectrum3_001399; KBio3_002238; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- (9CI); NCGC00094842-04; 5,7-dihydroxy-2-phenyl-4-chromenone; BPBio1_000746; SPBio_000766; 5-18-04-00076 (Beilstein Handbook Reference); SPBio_002897; SBB012459; KBioSS_000725; SPECTRUM1500709; BSPBio_003018; KBio2_000725; chrysin ; Prestwick2_000889; 5,7-dihydroxyflavone; Spectrum4_000780; FLAVONE, 5,7-DIHYDROXY-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; Spectrum_000245; Spectrum2_000753; KBio2_003293; 5,7-diOH-Flavone; SDCCGMLS-0066586.P001; KBio1_000614; NCGC00016456-01; SPECTRUM1505144; IDI1_000614; EINECS 207-549-7; Oprea1_045160; SMP1_000070; Prestwick3_000889; Chrysine; KBio2_005861; Prestwick1_000889; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; S00112; NCGC00094842-01; NCGC00094842-03; MEGxp0_001416; C80105_ALDRICH; DivK1c_000614; 5,7-dihydroxy-2-phenyl-chromone; KBioGR_001200; NCGC00094842-02; 5,7-Dihydroxyflavone; NINDS_000614; BSPBio_002514; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; ZINC00057650; 480-40-0; ACon1_000087; 27214_FLUKA; C10028; NSC 407436; BRN 0233276; Prestwick0_000889; NSC407436; BSPBio_000678; Chrysin; 5,7-dihydroxyflavone |
C15H10O4 |
254.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)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 |
|
TCMBANKIN058355 |
Aromatic alcohol |
NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R |
C7H8O |
108.14 g/mol |
C1=CC=C(C=C1)CO |
|
TCMBANKIN058367 |
indirubin |
NSC-105327; KBio2_000450; 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; 2-(2-oxo-3-indolinylidene)-3-indolinone; Couroupitine B; [.DELTA.2,3'-Biindoline]-2',3-dione; MLS000759416; 479-41-4; 5-24-08-00507 (Beilstein Handbook Reference); KBio3_000839; NSC105327; NSC 105327; (2E)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; KBioGR_000450; Indigopurpurin; KBioSS_000450; (2E)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; indirubin ; (delta2,3'-Biindoline)-2',3-dione (8CI); 2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (delta(sup 2,3')-BIINDOLINE)-2',3-DIONE; Indirubin; (2E)-2-(2-oxoindolin-3-ylidene)indolin-3-one; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-; SMR000466311; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (9CI); BRN 0088279; C.I. 73200; KBio2_005586; (2E)-2-(2-oxo-3-indolinylidene)-3-indolinone; Indigo Red; KBio2_003018; EM-A05-INDIRUBIN; 2-(2-oxoindolin-3-ylidene)indolin-3-one; KBio3_000840; Bio2_000395; Bio2_000875; (2Z)-2-(2-oxo-3-indolinylidene)-3-indolinone; (2Z)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; IDI1_002150; BSPBio_001110; NCGC00163356-01; BiomolKI2_000073; NCGC00163356-02; NCGC00163356-03; BiomolKI_000069; (2Z)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one |
C16H10N2O2 |
262.26 |
C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O |
|
TCMBANKIN058369 |
α－ionone |
4-Hydroxycoumarin; 4-hyroxycoumarin; CHEMBL301141; WLN: T66 BOVJ EQ; 4-Hydroxy-2H-1-benzopyran-2-one; 4-Hydroxycoumarin, 98%; TRA-0204940; HMS1607G02; 22105-09-5; 4-Hydroxy-2H-chromen-2-one #; LS40467; RTC-020138; AK-49238; I14-4404; BG01501065; DB03410; Z56922074; 4-Hydroxycoumarin; NSC 11889; SR-01000389319; 1076-38-6; DB-014485; COUMARINOL; NCI60_000453; MolPort-000-294-754; MEGxm0_000452; VXIXUWQIVKSKSA-UHFFFAOYSA-N; SCHEMBL131312; 5-18-01-00378 (Beilstein Handbook Reference); A-9316; RP22489; 4-hydroxy-coumarin; 2-hydroxychromen-4-one; 4-Hydroxycoumarin, Vetec(TM) reagent grade, 98%; EINECS 214-060-2; AI3-52393; SC-00282; ANW-15833; TC-020138; 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-; NCGC00179970-01; 4-Hydroxy-chromen-2-one; NSC11889; 4-Coumarinol; SMR000112320; ST2418405; MLS004491719; 4-Hydroxy-2H-1-benzopyran-2-one (4-Hydroxycoumarin); ACon1_001952; BRD-K48844111-001-01-4; BG01501064; KSC175M9D; 4-hydroxychromen-2-one; 4-HYDROXY-1-BENZOPYRAN-2-ONE; Coumarin, 4-hydroxy- (8CI); TL8000267; BRN 0129768; 4-hydroxy-2H-benzo[b]pyran-2-one; BG00601083; AH-034/32464035; Coumarin, 4-hydroxy-; EBD2035794; LS-39686; AKOS000119142; 4-Hydroxy coumarin; 2-Hydroxychromone; BBL027616; 4-Hydroxycoumarine; BB 0220623; BB_NC-0709; ICCB4_000134; 4HC; 4-HYDROXYCOUMARINS; 4H-1-Benzopyran-4-one, 2-hydroxy-; ST50211285; 4-hydroxy-2-oxo-2H-1-benzopyran; AN-1038; MCULE-5951606896; FT-0660645; SCHEMBL1961365; ZINC96006086; 4-Hydroxy-2H-chromen-2-one; ACMC-1BO7V; CBiol_000838; AJ-70366; SR-01000389319-1; DTXSID8061472; PubChem8693; NSC-11889; AM84328; ZINC18154848; J-515519; UNII-X954ZLL2RD; 4-hydroxycoumarin (OLD); STK801816; AC1L234K; J-620003; F0266-2972; MFCD00006856; 4-Monohydroxycoumarin; 4- Hydroxycoumarin; KB-39170; STR01861; 4-hydroxy-2-chromenone; CHEBI:40070; AC-13227; hydroxychromone; X954ZLL2RD; BDBM50055710; FT-0602218; InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10; EU-0066799; C20414; Benzotetronic acid; SBB038533; AB0004657; CTK0H5691; 4-hydroxycoumarin |
C9H6O3 |
162.14 |
C1=CC=C2C(=C1)C(=CC(=O)O2)O |
|
TCMBANKIN058371 |
ICO |
1H-Indole-3-carboxylic acid; EINECS 212-231-6; Indole-3-carboxylic acid; 284734_ALDRICH; 57225_FLUKA; SBB003952; CHEBI:24809; InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12; Oprea1_560034; SDCCGMLS-0065969.P001; 771-50-6;indole-3-carboxylic acid;indole-3-carboxylicacid;3-indolecarboxylic acid |
C9H7NO2 |
161.16 g/mol |
C1=CC=C2C(=C1)C(=CN2)C(=O)O |
|
TCMBANKIN058374 |
Indolyl acetic acid |
3-indolylaceticacid;Indole acetic acid;IES;heteroauxin;1H-Indole-3-acetic acid (9CI); beta-Indoleacetic acid; 54692-39-6; I8262_SIGMA; CHEBI:16411; 87-51-4; 1H-indol-3-ylacetic acid; CCRIS 1014; Heteroauxin; InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13; 1H-Indole-3-acetic-a-t acid (9CI); EPA Pesticide Chemical Code 128915; EU-0099905; Indole-3-acetic acid-carboxy-14C; Acetic acid, indolyl-; beta-Indolylacetic acid; I3750_ALDRICH; omega-Skatole carboxylic acid; 2-(1H-Indol-3-yl)acetic acid; .beta.-Indole-3-acetic acid; MLS001066408; I2886_SIGMA; C00954; Hexteroauxin; .beta.-Indolylacetic acid; Indol-3-ylacetic acid; Rhizopin; Indole-3-acetic acid (8CI); [3H]-IAA; NSC 3787; Indole-3-acetic-t acid; WLN: T56 BMJ D1VQ; 3-(Carboxymethyl)indole; .alpha.-Indol-3-yl-acetic acid; 45533_RIEDEL; (1H-Indol-3-yl)acetic acid; ST5308201; .omega.-Skatole carboxylic acid; Maybridge1_006755; IAA; SDCCGMLS-0066204.P001; beta-IAA; Indoleacetic acid (VAN); 3-IAA; 3-Indolylacetic acid; 6305-45-9; Indolyl-3-acetic acid; 3-Indolylessigsaeure; Oprea1_602123; indole-3-acetic acid; IAC; Rhizopon A; Kyselina 3-indolyloctova [Czech]; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 1H-Indole-3-acetic acid; 3-Indolylmethylcarboxylic acid; .beta.-IAA; AIDS009893; SMR000471855; SR-01000596909-2; EINECS 201-748-2; 2-(1H-indol-3-yl)ethanoic acid; alpha-IAA; Heteroauxinhexteroauxiniaa; .alpha.-IAA; indoleacetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indoleacetic acid; NSC3787; .beta.-Indoleacetic acid; AIDS-009893; AI3-24131 |
C10H9NO2 |
175.18 g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
|
TCMBANKIN058375 |
tryptophan |
(3s)2,3-dihydro-l-tryptophan; ZINC32141959;tryptophane;WV;L-tryptophan;HSDB 4142; Tryptophan, L-(8CI); AC1Q4U80; L-Tryptophan, Vetec(TM) reagent grade, >=98%; alpha-Aminoindole-3-propionic acid; SR-01000075590-1; ZINC83315; 1-beta-3-Indolylalanine; L-(-)-Tryptophane; MolPort-044-812-611; IDI1_000457; MFCD00064340; L-2-Amino-3-indolepropionic acid; 8DUH1N11BX; STR02722; NCGC00261868-01; EU-0101183; Lopac0_001183; Tryptophan, L-; 80206-30-0; Tryptophan, European Pharmacopoeia (EP) Reference Standard; (s)-a-amino-b-indolepropionate; Tox21_201246; L-Trytophan; bmse000868; TC-066620; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; Sedanoct; UNII-8DUH1N11BX; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; Propionic acid, 2-amino-3-indol-3-yl; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; NCI-C01729; (S)-alpha-Aminoindole-3-propionate; L-Tryptophan, Cell Culture Reagent; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; bmse001017; AB1007074; tryptophan; BB_NC-1911; 2-amino-3-indol-3-ylpropionic acid; 154635-35-5; Pacitron; L-tryptophan; 2-Amino-3-indolylpropanoate; CTK2H7431; NCGC00094437-01; 2-Amino-3-indolylpropanoic acid; TRP NH3+ COOH; ZX-AT022248; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; HMS3263N07; L-TRYPTOPHAN SIGMA GRADE; alpha-Amino-3-Indoleproprionic Acid; Tryptophan (USP/INN); L-Tryptophan (9CI); D05EJG; A7403; (L)-TRYPTOPHAN; KSC377I3D; 1H-Indole-3-alanine; Alanine, 3-indol-3-yl-; NCGC00254424-01; MCULE-8004234494; (S)-1H-Indole-3-alanine; AKOS015854052; CHEBI:16828; LP01183; Lopac-T-0254; CHEMBL54976; GTPL717; 3-Indol-3-ylalanine; F0001-2364;HSDB 4142; MT1; T0254_SIAL; tryptophan (H-3); 1-beta-3-Indolylalanine; NChemBio.2007.20-comp7; IDI1_000457; EU-0101183; Lopac0_001183; 80206-30-0; (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; Sedanoct; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; BB_NC-1911; Pacitron; 2-Amino-3-indolylpropanoic acid; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; Tryptophan (USP/INN); L-Tryptophan (9CI); (L)-TRYPTOPHAN; Alanine, 3-indol-3-yl-; AIDS011920; CHEBI:16828; AIDS-011920; Lopac-T-0254; 3-Indol-3-ylalanine; C00078; Tryptan; TRP-01; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; 1H-Indole-3-alanine (VAN); AI3-18478; LS-185087; L-alpha-Aminoindole-3-propionic acid; SMR000326686; L-Alanine, 3-(1H-indol-3-yl)-; L-Trp; L-alpha-Amino-3-indolepropionic acid; Tryptophane; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; L-Tryptofan; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; (-)-Tryptophan; MLS001056750; alpha'-Amino-3-indolepropionic acid; Indoe-3-propionic acid, alpha-amino-; LTR; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; T8941_SIGMA; (S)-alpha-Amino-beta-indolepropionic acid; NSC 13119; CCRIS 617; L-Tryptophane; Tryptophane [French]; Tryptophanum [Latin]; 93659_FLUKA; D00020; Ardeytropin; DivK1c_000457; EINECS 200-795-6; EH 121; Tryptophan, L- (8CI); Triptofano [Spanish]; L-beta-3-Indolylalanine; KBio1_000457; L-(-)-tryptophan; Kalma; NCGC00015994-01; Lyphan; Tryptophan (VAN); h-Trp-oh; Tryptophan [USAN:INN]; L-Tryptophan (JP15); T4196_SIAL Pharmakon1600-01500600; triptofano; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; 2-Amino-3-(lH-indol-3-yl)-propanoic acid; DTXSID5021419; L-Ttp; Tryptophanum; AM82273; C00078; Tryptan; TRP-01; AJ-10635; L-Tryptophan, BioUltra, >=99.5% (NT); KB-53414; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; (S)-a-Aminoindole-3-propionic acid; 2a4m; L-Tryptophan, reagent grade, >=98% (HPLC); 1H-Indole-3-alanine (VAN); AI3-18478; trytophan; LS-185087; BIT0720; CS-W020011; L-alpha-Aminoindole-3-propionic acid; AC1L1M8F; QIVBCDIJIAJPQS-VIFPVBQESA-N; SMR000326686; D-Trp-OH; Tryptophan (L-Tryptophan); L-Alanine, 3-(1H-indol-3-yl)-; CAS-73-22-3; Tox21_501183; L-Trp; OR28930; T 0254; ST2419449; alpha-Amino-beta-(3-indolyl)-propionic acid; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; ZX-AFC000605; DSSTox_GSID_21419; Tryptophane; 73T223; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; Epitope ID:136043; AX8034769; DSSTox_CID_1419; L-Tryptofan; S(-)-1-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; PubChem10984; (-)-Tryptophan; BDBM21974; MLS001056750; (s)-alpha-amino-beta-indolepropionate; CCG-205257; alpha'-Amino-3-indolepropionic acid; NCGC00094437-02; Indoe-3-propionic acid, alpha-amino-; NSC757373; C-48302; (S)-a-Amino-b-indolepropionic acid; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; L(-)-Tryptophan; DSSTox_RID_76152; DB-029986; SR-01000075590; BP-13286; l-b-3-Indolylalanine; Alanine, 3-indol-3-yl; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; ACT08662; DB00150; NCGC00258798-01; LS-1622; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-indolepropionic acid; NCGC00094437-04; BR-50074; AB00373874_05; RTC-066620; bmse000050; NSC 13119; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture; alpha-amino-beta-(3-indolyl)-pr opionic acid; GM0674; CCRIS 617; L-Tryptophane; Tryptophanum [Latin]; Tryptophane [French]; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan (H-3); (S)-a-Amino-1H-indole-3-propanoate; Tox21_300359; trp; AK-50074; Alti-Tryptophan; ANW-36308; Ardeytropin; D00020; DivK1c_000457; L-Tryptophan (JP17); (S)-(-)-Tryptopha n; NCGC00094437-03; L-Trp-OH; EINECS 200-795-6; (S)-2-Amino-3-(3-indolyl)propionic acid; L-; EH 121; EC 200-795-6; Optimax; L-Trytophane; HMS501G19; Tryptophan, L- (8CI); NSC-757373; M02943; (S)-(-)-Tryptophan; HTS001390; RP26086; Triptofano [Spanish]; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; L-beta-3-Indolylalanine; A-Amino-3-indolepropionic acid; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; MolPort-001-794-499; KBio1_000457; BG00603884; 73-22-3; Kalma; NCGC00015994-01; AN-8742; 3-(1H-indol-3-yl)-L-Alanine; FT-0627592; Lyphan; Tryptophan (VAN); trofan; L-Tryptophan premix; L-Tryptophan, Vetec(TM), 98.5%; AC-17050; L-alpha-amino-3-indolepropionic acid; h-Trp-oh; 1qaw; SCHEMBL7328; Tryptophan [USAN:INN]; L-(-)-Tryptophan; L-Tryptophan (JP15); phosphatidylserine; (S)-alpha-Amino-1H-indole-3-propanoate; l-a-Aminoindole-3-propionic acid; D-2-Amino-3-indolepropionic acid; Z1245635763; (S)-a-Aminoindole-3-propionate; tryptacin |
C11H12N2O2;C3H8NO6P |
204.22 g/mol;185.07g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN058377 |
tryptamine |
tryptamine sulfate;TSS;KBioSS_000393; 2-(1H-indol-3-yl)ethylamine; DivK1c_000862; SMR000112268; IDI1_000862; 2-(3-Indolyl)ethylamine; 2-Indol-3-ylethylamine; KBio3_002903; SDCCGMLS-0066798.P001; 2-(1H-INDOL-3-YL)ETHANAMINE; KBio1_000862; Indol-3-ethylamine; NCGC00095081-01; KBioGR_001459; BSPBio_003400; Spectrum_000033; Indole, 3-(2-aminoethyl)-; SPECTRUM1503922; 193747_ALDRICH; 1H-Indole-3-ethanamine; Lopac-246557; SPBio_000945; AIDS072303; 5-22-10-00045 (Beilstein Handbook Reference); AIDS-072303; CHEBI:16765; EINECS 200-510-5; Spectrum2_000873; Lopac0_000061; MT4; TRYPTAMINE; Spectrum3_001890; AE-848/30735051; Spectrum4_000850; NINDS_000862; (Amino-2 ethyl)-3 indole [French]; NCGC00095081-04; C00398; BRN 0125513; KBio2_000393; 2-(Indol-3-yl)ethylamine; 3-(2-aminoethyl)indole; MLS000515794; TSH; NCGC00014994-01; NCGC00095081-02; KBio2_005529; Oprea1_870097; Spectrum5_001296; KBio2_002961; SBB003963; 61-54-1 |
C10H12N2 |
160.22 g/mol |
C1=CC=C2C(=C1)C(=CN2)CCN |
|
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 |
|
TCMBANKIN058388 |
Morkit |
NCGC00094960-01; Anthracene, 9,10-dihydro-9,10-dioxo-; Anthraquinone [BSI:ISO]; PS926_SUPELCO; Spectrum4_000907; 9,10-Anthracendion; SPBio_000330; ZINC03847491; Hoelite; KBio2_007143; AIDS-001365; SpecPlus_000645; anthra-9,10-quinone; BSPBio_003141; 9,10-Anthracenedione; C16207; 45327_RIEDEL; KBio1_001685; SPECTRUM1502103; Corbit; DivK1c_006741; KBio2_002007; Caswell No. 052A; 9,10-Dioxoanthracene; A90004_ALDRICH; Spectrum5_001897; KBio2_004575; 790240-52-7; ANTHRAQUINONE; InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8; CHEBI:40448; KBio3_002641; Anthrapel; 84-65-1; NCGC00094960-02; Spectrum2_000405; KBioSS_002007; 9,10-Anthrachinon; EINECS 201-549-0; Bis-alkylamino anthraquinone; NCGC00094960-03; CCRIS 649; NSC 7957; Anthrachinon; AI3-09073; NSC7957; ST5410412; Anthradione; HSDB 2074; KBioGR_001374; Spectrum_001527; EPA Pesticide Chemical Code 122701; 9,10-Anthrachinon [Czech]; 9,10-Anthraquinone; AIDS001365; Spectrum3_001501; anthracene-9,10-dione; AN-24075; Melting point standard 283-286 inverted exclamation markaC; MolPort-001-783-170; D0L5LN; BBL003001; Anthracene-9,10-quinone; KBio2_007143; MCULE-4655011423; KBio2_002007; LS-1837; Morkit; T8216; K513; ST24024605; 9,10-quinone; HMS1921J14; Anthraquinone 100 microg/mL in Acetonitrile; Bis-alkylamino anthraquinone; 9,10-Anthraguinone; Az-Q; Anthracene,10-dihydro-9,10-dioxo-; TRA0074021; Epitope ID:116191; Anthraquinone, purum, >=99.0% (HPLC); STK398385; anthracene-9,10-dione; SBB060613; Melting point standard 283-286C, analytical standard; AK117080; DSSTox_CID_95; Spectrum4_000907; Tox21_111369; UNII-030MS0JBDO; 9,10-Anthracendion; CAS-84-65-1; SpecPlus_000645; NCGC00094960-06; 9,10-Anthracenedione; 9,10-dihydro-9,10-dioxoanthracene; AC1Q6JY1; DSSTox_GSID_20095; Morkie; 9,10-dihydroanthracene-9,10-dione; KBio3_002641; 84-65-1; AB-131/40003277; KBioSS_002007; A0502; EINECS 201-549-0; CCRIS 649; SC-46775; Anthrachinon; BDBM50094892; HSDB 2074; KBioGR_001374; EPA Pesticide Chemical Code 122701; 9,10-Anthrachinon [Czech]; Tox21_111369_1; KBio2_004575; 9,10-anthrachinoe; Spectrum3_001501; NCGC00094960-01; SR-01000944707-1; ZINC3847491; TR-031315; Anthracene, 9,10-dihydro-9,10-dioxo-; Anthraquinone, 97%; KSC362C5J; Anthracenequinone; BSPBio_003141; Anthraquinone, analytical standard; Anthraquinone, Vetec(TM) reagent grade, 97%; AC-12719; SPECTRUM1502103; MFCD00001188; Caswell No. 052A; 030MS0JBDO; Spectrum5_001897; CHEBI:40448; InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8; F0001-2133; Spectrum2_000405; NCGC00094960-02; RP26414; NCGC00094960-03; KB-74706; NSC 7957; DTXSID3020095; DS-4810; 9,10-Anthraquinone; I14-1219; RTR-031315; ST50410412; DB-005409; Anthraquinone [BSI:ISO]; FT-0622417; Anthra-9,10-quinone #; SPBio_000330; EC 201-549-0; Hoelite; NCGC00094960-04; Anthraquinone, PESTANAL(R), analytical standard; C16207; SCHEMBL14943; KBio1_001685; Corbit; AJ-45864; CHEMBL55659; DivK1c_006741; Anthra-9,10-quinone; DSSTox_RID_75364; BG01517201; 9,10-Dioxoanthracene; NSC-7957; ANTHRAQUINONE; Anthrapel; ACMC-209pw0; AC1L1NAG; SR-01000944707; 9,10-Anthrachinon; RZVHIXYEVGDQDX-UHFFFAOYSA-N; AI3-09073; NSC7957; Anthradione; Spectrum_001527; CCG-39966; AKOS000282964; ANW-37822; anthraquinone |
C14H8O2 |
208.21 |
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O |
|
TCMBANKIN058389 |
3-(2'-hydroxyphenyl)-4-(3h)-quinazolinone |
3-(2-hydroxyphenyl)quinazolin-4-one;3-(2-Hydroxyphenyl)-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(o-hydroxyphenyl)-; 3-(2'-Hydroxyphenyl)-4-(3H)-quinazolinone; 3-(2-hydroxyphenyl)-4-quinazolinone |
C14H10N2O2 |
238.24 g/mol |
C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3O |
|
TCMBANKIN058390 |
tryptanthrine |
AC1L2K2A; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; HMS2271H05; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; SR-01000521538; J-006143; AX8156048; BDBM50240612; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; AC1L2K2A; indolo[2,1-b]quinazoline-6,12-quinone; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; tryptanthrin ; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; indolo[2,1- b]quinazoline alkaloid; HMS2271H05; indolo-[2,1-b]-quinazoline-6,12-dione; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; AIDS017287; SR-01000521538; J-006143; ZINC00033299; AX8156048; BDBM50240612; 6,12-dihydro-6, 12-dioxoindolo-(2,1-b)-quinazoline; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; AIDS-017287; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; tryptanthrin |
C15H8N2O2 |
248.24 g/mol |
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2 |
|
TCMBANKIN058394 |
coumarin |
KBio3_002764; HSDB 1623; coumari; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=CC(=O)O2 |
|
TCMBANKIN058401 |
Norharman |
244-63-3; BSPBio_002322; ZINC00066039; SMR000058207; KBio3_001542; BRN 0128414; Carbazoline; KBio2_001612; InChI=1/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13; 9H-beta-carboline; AIDS109050; 5-23-08-00220 (Beilstein Handbook Reference); norharman; Norharmane; EINECS 205-959-0; 9H-Pyrido[3,4-B]indole; Prestwick_363; NSC84417; AG-670/31510009; KBio2_006748; .beta.-Carboline; MLS000069651; Spectrum4_001915; Spectrum2_000588; AIDS-109050; Spectrum_001132; 9H-$b-carboline; SMP2_000349; NCIOpen2_001217; KBioSS_001612; 2,9-Diazafluorene; Spectrum5_000630; KBio2_004180; SDCCGMLS-0003278.P003; Carbazoline (VAN); 2-Azacarbazole; CCRIS 6915; ST5307983; Spectrum3_000741; SPBio_000436; NSC 84417; NCGC00021302-03; N6252_SIGMA; KBioGR_002537; WLN: T B656 EN HMJ;beta-carboline |
C11H8N2 |
168.19 |
C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 |
|
TCMBANKIN058421 |
2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile |
2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858; 2,3-dihydro-4-hydroxy-2-indole-3-acetonitrile;2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858 |
C10H8N2O2 |
188.18 g/mol |
C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O |
|
TCMBANKIN058422 |
americanol |
133838-65-0; 4-[(2R,3R)-2-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol; 1,2-Benzenediol, 4-((2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-((1E)-3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, rel-; 1,2-Benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-6-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,6(E))-; rel-(7'E)-(7alpha,8beta)-3,4,9,9'-tetrahydroxy-4',7-epoxy-8,3'-oxyneolign-7'-ene; rel-4-{(2R,3R)-3-(hydroxymethyl)-6-[(1E)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}benzene-1,2-diol; 1,2-benzenediol, 4-[(2R,3R)-2,3-dihydro-3-(hydroxymethyl)-6-[(1E)-3-hydroxy-1-propenyl]-1,4-benzodioxin-2-yl]-; InChI=1/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1+/t17-,18-/m1/s; 4-[(2R,3R)-7-[(E)-3-hydroxyprop-1-enyl]-2-methylol-2,3-dihydro-1,4-benzodioxin-3-yl]pyrocatechol;americanol a;4-[3-Hydroxymethyl-6-(3-hydroxy-propenyl)-2,3-dihydro-benzo[1,4]dioxin-2-yl]-benzene-1,2-diol |
C18H18O6 |
330.33 g/mol |
C1=CC2=C(C=C1C=CCO)OC(C(O2)C3=CC(=C(C=C3)O)O)CO |
|
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 |
|
TCMBANKIN058450 |
ADO |
nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside |
C10H13N5O4 |
267.24 g/mol |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
|
TCMBANKIN058467 |
Hinokinin |
Cubebinolide; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranone; CTK1F0599; 2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-; hinokinin; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-; (+)-Hinokinin; DDWGQGZPYDSYEL-CABCVRRESA-N; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one; CHEMBL180970; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4S)-; 3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydro-2(3H)-furanone #; 580-73-4; 26543-89-5; DTXSID40451491; (3S,4S)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-ONE; C10627; ZINC900115; SCHEMBL14064757 |
C20H18O6 |
354.35g/mol |
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
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 |
|
TCMBANKIN058493 |
(?)-cubebin |
18423-69-3; (-)-Cubebin; AI3-62265; (3R,4R)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-OL; SCHEMBL12857446; BG01069891; 1242843-00-0; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Tetrahydro-3,4-dipiperonylfuran-2-ol; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; Cubebine; AKOS000276832; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)-; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; rac-Cubebin; AIDS-002469; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranol; .beta.-Cubebin; cubebin; C10549; CHEMBL3752996; EINECS 242-300-6; AIDS002469; 2-Furanol, tetrahydro-3,4-dipiperonyl-; Cubebin; (- )-cubebin |
C20H20O6 |
356.4 g/mol |
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
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 |
|
TCMBANKIN058519 |
(-)-epigallocatechin-3-gallate; (-)-epigallocatechin 3-o-gallate;epigallocatechin gallate; galloyl-l-epigallocatechol; epigallocatechin 3-gallate; (-)-epigallocatechin gallate; |
KBio2_000796; SpecPlus_000277; 50299_FLUKA; Spectrum3_000244; KBioGR_002002; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester; MLS000758300; DivK1c_006373; (−)-Epigallocatechin gallate; EGCG; SPBio_000035; (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; KBioSS_000796; Epigallocatechin gallate; Spectrum4_001541; (-)-epigallocatechin 3-gallate; Tea catechin; AIDS000674; KBio2_005932; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester; KBio1_001317; 989-51-5; AIDS-000674; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); KBio2_003364; Galloyl-L-epigallocatechol; SDCCGMLS-0066550.P001; (-)-Epigallocatechol gallate; ACon1_001054; Spectrum5_000102; Green tea extract; MEGxp0_001166; C09731; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; (-)-Epigallocatechin gallate; CCRIS 3729; Teavigo; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Spectrum2_000168; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxy-flavane-3-gallate; CHEBI:4806; (-)-epigallocatechin-3-gallate ; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; SPECTRUM210239; E4143_SIAL; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; Spectrum_000316; (-)-EGCG; KBio3_001128; BSPBio_001628; Epigallocatechol, 3-gallate, (-)-; Epigallocatechin-3-gallate; E4268_SIAL; epigallocatechin gallate ; epigallocatechin-3-gallate; (-)epigallocatechin-3-gallate ; EGCG; 989E515; [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate; HMS2051K21; CS-1258; AC1L22IG; AK165605; Green tea polyphenols, Anagen; (-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard; AKOS015918182; CAS-989-51-5; Epigallocatechin gallate, primary pharmaceutical reference standard; W-5069; (-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate; (-)-Epigallocatechin gallate, analytical standard; Q-100914; DSSTox_RID_78830; AN-15867; DSSTox_GSID_29889; (-)-Epigallocatechol gallate; FT-0604392; NCGC00164319-04; Green tea extract; MEGxp0_001166; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; N1874; CHEBI:4806; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; BG00814299; HMS3649E08; D0E9DB; Epigallocatechol, 3-gallate, (-)-; (-)-EpigallocatechinGallateHydrate; Epigallocatechin-3-gallate; AB0014381; BQM438CTEL; NC00078; ST51055716; Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material; SpecPlus_000277; Spectrum3_000244; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate; MLS000758300; (-)-Epigallocatechin gallate (EGCG); CCG-38378; Gallic acid, 3-ester with epigallocatechol, (-)-; SR-01000946601-1; NCGC00164319-01; (-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate; NCGC00164319-06; DSSTox_CID_567; MCULE-3341525983; Epigallocatechin monogallate, B; Tox21_303457; SAM001247031; 4awm; K791; 989-51-5; SR-01000946601; MFCD00075940; EGCG analogs; Galloyl-L-epigallocatechol; NCGC00164319-03; (-)-Epigallocatechin gallate, >=80% (HPLC), from green tea; Spectrum5_000102; CPD000449288; (-)-Epigallocatechin gallate; LMPK12030005; E0694; Teavigo; Epigallocatechin gallate analogs, Anagen; Epigallocatechin-3-monogallate; ACN-035233; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; Sunphenon; Epigallocatechin gallate(EGCG); s2250; PF-EGCg 90; 3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzoic acid (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; MLS001424000; (-)-EGCG; ZINC3870412; KBio2_000796; EGCG cpd; KBioGR_002002; Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-; EGCG, Anagen; NCGC00257243-01; Tox21_201468; L-Epigallocatechin gallate; cid_65064; SPBio_000035; BG01747388; Epigallocatechin gallate; KBioSS_000796; Spectrum4_001541; (-)-epigallocatechin 3-gallate; DB12116; EPIGALOCATECHIN GALLATE; ANTIOXIDANT MODEL (TRAMP) -EPIGALLOCATECHIN GALLATE; KBio2_005932; I14-7747; D0U2BH; MCULE-7760530136; 2kdh; Epigallocatechin gallate, Anagen; AOB2839; SDCCGMLS-0066550.P001; 863-65-0; FR-109; ST097428; ACon1_001054; LS-2197; CCRIS 3729; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Epigallocate; GTPL7002; BDBM50070942; C22H18O11; GTPs,Anagen; SCHEMBL35258; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate; MolPort-001-741-358; DivK1c_006373; KB-206444; SR-01000759328; Teavigo;; EGCG; (-)-EPIGALLOCATECHIN GALLATE (GREEN TEA EXTRACT); HY-13653; (-)-Epigallocatechin gallate, >=95%; NCGC00259019-01; Tea catechin; DS-9030; SR-01000759328-6; SR-01000759328-5; KDH; AC1Q5X0Z; KBio1_001317; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxyb enzoate; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); NVP-XAA 723; KBio2_003364; EBD2138593; FT-0082796; NCGC00164319-02; C09731; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; UNII-BQM438CTEL; DTXSID1029889; WMBWREPUVVBILR-WIYYLYMNSA-N; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epigallocatehin gallate; Spectrum2_000168; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; (-)-Epigallocatechin gallat; SPECTRUM210239; Epigallocic acid; Epigallocatcchin Gallate; KS-0000132O; BP-30205; CHEMBL297453; SC-47284; Spectrum_000316; 3oob; (-)-Epigallocatechin gallate, >=97.0% (HPLC); KBio3_001128; BSPBio_001628; epigallo-catechin gallate |
C22H18O11 |
458.4g/mol |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
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 |
|
TCMBANKIN058551 |
Geniposidic acid |
geniposidicacid; 27741-01-1; geniposidic acid; (1S,4aS,7aS)-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,7aS)-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; (1S,4aS,7aS)-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,7aS)-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; 27932-72-5; C11673; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acid |
C16H22O10 |
374.34 |
C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
|
TCMBANKIN058567 |
(- )-asarinin |
L-asarinin;ZINC05223929;5-[(1R,3aS,4S,6aS)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; ZINC03874953; NCGC00142464-01 |
C20H18O6 |
354.4 g/mol |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
|
TCMBANKIN058574 |
(?)-regiolone |
(4r)-4,8-dihydroxy-α-tetralone |
C10H10O3 |
178.18 g/mol |
C1CC(=O)C2=C(C1O)C=CC=C2O |
|
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 |
|
TCMBANKIN058617 |
Ambrettolid |
KBioGR_001815; omega-6-Hexadecenlactone; Hexadec-7-en-16-olide; ambrettolid; Oxacycloheptadec-8-en-2-one, (8Z)-; Natural musk ambrette; 17598-28-6; OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-; DivK1c_006499; 123-69-3; Spectrum4_001178; 16-Hydroxy-7-hexadecenoic acid lactone; SpecPlus_000403; Musk natural; KBio3_001782; KBio1_001443; (8Z)-1-oxacycloheptadec-8-en-2-one; Oxacycloheptadec-8-en-2-one; Musk ambrette (natural); Ambrettolide; 1-oxacycloheptadec-8-en-2-one; AI3-30957; EINECS 204-644-5; Spectrum3_001041 |
C16H28O2 |
252.39 |
C1CCCCOC(=O)CCCCCC=CCCC1 |
|
TCMBANKIN058619 |
isochavicine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; Chavicine; UNII-95JV386FPD; AC1LU7IN; CAS-94-62-2; SCHEMBL119081; CHEMBL1395862; piperine; chavicine; isopiperine; (Z,Z)-1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine; NCGC00016355-01; Chavicin; 95JV386FPD; 495-91-0; cis-Piperine; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (Z,Z)-; MXXWOMGUGJBKIW-PORYWJCVSA-N; (2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; ZINC5368587; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,Z)-; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.34 g/mol |
C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058621 |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2 e,8 e-nonadienyl] piperidine |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8 e-nonadienyl] piperidine |
|
|
C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058623 |
piperoleine b |
piperolein b |
C21H29NO3 |
343.5 g/mol |
C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058629 |
rutacarpine |
rutaecarpine;rutecarpine |
C18H13N3O |
287.3 g/mol |
C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 |
|
TCMBANKIN058631 |
stylopine |
stylopine ; AKOS000277993; AC1LF4K6; SCHEMBL14703887; J0JS75Q12Z; BG01035160; l-Tetrahydrocoptisine; tetrahydrocoptisine; 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine; l-Stylopine; MolPort-000-882-001; ZINC20470298; UNII-J0JS75Q12Z; AJ-77777; (1R)-5,7,17,19-TETRAOXA-13-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)?]TETRACOSA-2,4(8),9,15(23),16(20),21-HEXAENE; (-)-Tetrahydrocoptisine; 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)- (9CI); AKOS016023688; Stylopine; (S)-Stylopin; 13a-alpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)- |
C19H17NO4 |
323.34 |
C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
|
TCMBANKIN058636 |
Noroxyhydrastinine |
7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one; CTK4E7692; VSOJKDUWYQCWFM-UHFFFAOYSA-; noroxyhydrastinine; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline; 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one; NSC 201020; NSC-201020; InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12); 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE; AC1Q6NHB; AK396339; 1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; MolPort-000-881-842; CHEMBL449731; AC1L3H11; NSC201020; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-; ZINC1735195; MLS000546669; 2H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-ONE; HMS2346J04; 21796-14-5; 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolin-5(6H)-one; DTXSID30176207; 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one #; SCHEMBL564339; 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI); ACM21796145; 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline; VSOJKDUWYQCWFM-UHFFFAOYSA-N; FCH843447; NP-006295; SMR000113841; 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-; NCGC00247079-01; AKOS000277625;noroxoyhydrastinine |
C10H9NO3 |
191.18 |
C1CNC(=O)C2=CC3=C(C=C21)OCO3 |
|
TCMBANKIN058638 |
higenamine |
UNII-6016M93W29; CHEBI:27751; (R)-Norcoclaurine; 6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline; 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (1R)-; (1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol; 6016M93W29; SCHEMBL5898913; AX8328517; DTXSID90331552; (+)-HIGENAMINE; UNII-TBV5O16GAP component WZRCQWQRFZITDX-CQSZACIVSA-N; CHEMBL501778; 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (R)-; C06347; (R)-(+)-Higenamine; (+)-Demethylcoclaurine; 106032-53-5; BDBM50242856; AC1L9ACA; (1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol; AK00743742; (R)-1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol; Higenamine, (+)-; ZINC896041; demethylcoclaurine; demetahyl coclaurine |
C16H17NO3 |
271.31 g/mol |
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O |
|
TCMBANKIN058641 |
(-)-anonaine |
C09339; 3,5-DIOXA-11-AZAPENTACYCLO[10.7.1.0(2),?.0?,(2)?.0(1)?,(1)?]ICOSA-1(20),2(6),7,14,16,18-HEXAENE; 1862-41-5; SCHEMBL15800852; 3,5-dioxa-11-azapentacyclo[10.7.1.0;{2,6}.0;{8,20}.0;{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaene; 1,2-Methylenedioxynoraporphine; Anonaine; J3.604.525F; Anonain; ACon1_001472; NCGC00180471-01; AC1MR46Q; (-)-Annonaine; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,7-tetrahydro-, (R)-; (+)-Anonaine;anonaine |
C17H15NO2 |
265.31 g/mol |
C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
|
TCMBANKIN058652 |
irilone |
9-hydroxy-7-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; 41653-81-0; irolone; 9-hydroxy-7-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; Irilone; C10467; Irolone |
C16H10O6 |
298.25 g/mol |
C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O |
|
TCMBANKIN058656 |
aristolochic acidⅡ |
aristolochic acid B |
C16H9NO6 |
311.24 g/mol |
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-] |
|
TCMBANKIN058658 |
Micheline B |
CCRIS 1549; Oxoushinsunin; C09567; 475-75-2; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one; Spermatheridin; NCI60_001798; MEGxp0_001521; BRN 0273167; Spermatheridine; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; NSC93681; NSC215254; Liriodenine; Oxoushinsunine; NSC 215254; 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one; Ushinsunine, oxo-; NORAPORPHIN-7-ONE, 4,5,6,6a-TETRAHYDRO-1,2-(METHYLENEDIOXY)-; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9CI); AIDS-008761; AIDS008761; NCI60_042088; NSC 93681; 4-27-00-06585 (Beilstein Handbook Reference) |
C17H9NO3 |
275.26 g/mol |
C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058692 |
1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-,Acetate |
Perillylacetate;Perillyl acetate;(4-isopropenyl-1-cyclohexen-1-yl)methylacetate |
C12H18O2 |
194.27 g/mol |
CC(=C)C1CCC(=CC1)COC(=O)C |
|
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 |
|
TCMBANKIN058742 |
13-cis-crocetin di(β-Dgentiobiosyl)ester;alpha-crocin;crocin-1;crocin I;crocetin di(β-D-gentiobiosyl)ester;crocin |
CAS-42553-65-1; Crocin; 42553-65-1; 877GWI46C2; Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate; crocin-1; crocetin di-gentiobiose ester; Tox21_111837; DTXSID7046172; CHEBI:79068; I07-0227; C.I. 75100; SCHEMBL1463936; DSSTox_RID_81403; Crocine; bis[(2S,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] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; Gardenia Yellow; BRN 6473367; crocetin digentiobioside; 1329-79-9; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; MolPort-039-052-298; Crocin 1; crocetin di-beta-D-gentiobiose ester; 1160167-03-2; NCGC00160471-01; all-trans-Crocetin di-beta-D-gentiobiosyl ester; crocetin digentiobiosyl ester; HSDB 8211; DSSTox_CID_1457; CrocinI; AC1NQY8I; F32BA2H92Z; Natural red 1; 53178-29-3; 94238-00-3; trans-Crocetin di(beta-D-gentiobiosyl) ester; 39465-00-4; CCRIS 7705; N1661; LS-71090; DSSTox_GSID_46172; CCRIS 678; LS-59589; Natural yellow 19; 52841-81-3; beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); bis(beta-D-gentiobiosyl) crocetin; N1889; DB11874; Crocin-I; LS-190763; N1653; 11012-59-2; EINECS 254-465-1; ZINC245224178; Saffron (JP15); C08589; CHEMBL446785; EINECS 255-881-6; AKOS015896765; Crocetin digentiobiose ester; BDBM50260195; alpha-Crocin; UNII-877GWI46C2; Crocin A; Crocetin Di(Beta-Gentiobiosyl)Ester; All-trans-crocetin di-beta-delta-gentiobiosyl ester; trans-crocetin bis(beta-D-gentiobiosyl) ester; bis(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; Crocin I; Crocetin bis(gentiobiosyl) ester; UNII-F32BA2H92Z;Crocin; 42553-65-1; Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,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] ester; bis[(2S,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] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; Gardenia Yellow; BRN 6473367; 1329-79-9; Crocin 1; MolPort-044-724-359; NCGC00160471-01; all-trans-Crocetin di-beta-D-gentiobiosyl ester; AK160292; Saffron; 53178-29-3; 94238-00-3; BG00599755; 52841-81-3; CCRIS 678; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,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] ester; beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); AKOS024462610; 11012-59-2; bis[(2S,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] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; (2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL (3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYLHEXADECA-2,4,6,8,10,12,14-HEPTAENEDIOATE; C08589; EINECS 255-881-6; Crocetin digentiobiose ester; alpha-Crocin; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; Crocetin bis(gentiobiosyl) ester |
C44H64O24 |
976.96g/mol |
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
|
TCMBANKIN058747 |
futoquinol |
AOZTYYBGNNXAOI-NTEUORMPSA-N; C10574; 2-Allyl-4-[(E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one #; 2,5-Cyclohexadien-1-one, 4-(2-(1,3-benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propenyl)-, (E)-; BG01067915; CHEMBL498296; AKOS032949021; 4-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one;isofutoquinol a. b 4CN-3014;isofutoquinol a. b CHEBI:5203; 9430AF; 28178-92-9; AC1NQZ5C; Futoquinol; (E)-2-Allyl-4-(2-(1,3-benzodioxol-5-yl)-1-methylvinyl)-4,5-dimethoxy-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one,4-[(1E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)- |
C21H22O5 |
354.4 |
CC(=CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
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 |
|
TCMBANKIN058753 |
arnebin |
Alkannin beta,beta-dimethylacrylate;3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; 3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; C10293; 5162-01-6; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate; NCIMech_000202; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate |
C21H22O6 |
370.4 g/mol |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C |
|
TCMBANKIN058757 |
sophoraflavanone g |
sophoraflavanone g;Vexibinol;(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chroman-4-one; ZINC02008850; 4H-1-benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2,4-dihydroxyphenyl)-8-(5-methyl-2-(1-methylethenyl)-4-hexenyl)-, (S-(R*,S*))-; Sophoraflavanone G; InChI=1/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methylhex-4-enyl]-4-chromanone; 97938-30-2; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methylhex-4-en-1-yl)-2,3-dihydro-4H-chromen-4-one; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one; (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)-chroman-4-one |
C25H28O6 |
424.5 g/mol |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C |
|
TCMBANKIN058774 |
Icariin I |
icariin i; icariside I; icariside i |
C27H30O11 |
530.5 g/mol |
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)O)O)O)C |
|
TCMBANKIN058777 |
euchrenone |
(2s)-euchrenone a16 |
C25H28O5 |
406.56 |
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O)O)C |
|
TCMBANKIN058781 |
Toddaculin |
5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin; 4335-12-0; Toddaculine; 5,7-dimethoxy-6-(3-methylbut-2-enyl)-2-chromenone; 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-; toddaculine |
C16H18O4 |
274.31 g/mol |
CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C |
|
TCMBANKIN058788 |
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;2,4,2',4'-tetrahydroxy-3'-prenylchalcone |
|
C20H20O5 |
340.37 |
CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C |
|
TCMBANKIN058792 |
sophoraisoflavanone a |
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one; AC1L9DGH; LMPK12050480; 69573-59-7; DTXSID00331962; C10530; Sophoraisoflavanone A |
C21H22O6 |
370.4 g/mol |
CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C |
|
TCMBANKIN058793 |
osthol |
Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; AIDS-221947; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; Osthole isolated from Scutellaria baicalensis; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; AIDS-104947; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; ZINC00000566; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; 7-methoxy-8-(3-methylbut-2-enyl)-2-chromenone; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-enyl)coumarin; AIDS104947; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; AIDS221947; KBioGR_001954; osthol ; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; osthol; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; osthole ; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; 7-methoxy-8-[3-methylpent-2-enyl]coumarin; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 7-methoxy-8-isopentenoxycoumarin; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; KBioGR_001954; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; ostole;osthole |
C15H16O3 |
244.28 g/mol |
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
|
TCMBANKIN058794 |
isobavachin |
|
C20H20O4 |
324.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN058795 |
(-)-phaseollidin |
CHEBI:17556; AKOS032948450; CHEMBL508534; AC1Q70TS; 4CN-1496; (?)-phaseollidin; ZINC895662; Phaseollidin; BDBM50311583; DTXSID50191270; AC1L3OI5; SCHEMBL1545850; Phaseolidin; LMPK12070011; MolPort-023-298-969; 37831-70-2; BG01036204; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR,11aR)-; Phaseollidin; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; 6h-benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-,(6ar-cis)-; (-)-Phaseollidin; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR-cis)-; D0A9CZ; 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-10-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-; W2071; C05230; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR-cis)-; (-)-Phaseollidin; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofurano[3,2-c]chromene-3,9-diol; CHEBI:17556; 37831-70-2; (6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromene-3,9-diol; 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-10-(3-methyl-2-butenyl)-, (6aR,11aR)-; phaseollidin; C05230; (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
C20H20O4 |
324.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)C |
|
TCMBANKIN058798 |
Glycyrol |
MLS000697623; C16968; MolPort-039-339-022; AIDS095929; Neoglycyrol; 4CN-3163; CHEMBL132695; AKOS032949068; ZINC13130921; CHEBI:80832; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzoxolo[3,2-c]chromen-6-one; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one; AIDS-095929; HMS2270J05; 3,9-Dihydroxy-1-methoxy-2-(3-methyl-but-2-enyl)-benzofuro[3,2-c][1]benzopyran-6-one; 23013-84-5; DTXSID00177569; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-6-benzofurano[3,2-c]chromenone; SCHEMBL758197; AC1NSZ1D; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)benzofurano[3,2-c]chromen-6-one; SMR000470955; 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one; 3,9-Dihydroxy-1-methoxy-2-prenylcoumestan; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-butenyl)-; glycyrol;neoglycyrol |
C21H18O6 |
366.4 g/mol |
CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C |
|
TCMBANKIN058800 |
garcinone b |
Pyrano[3,2-a]xanthen-12(3H)-one, 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methyl-2-butenyl)-; AIDS-180907; 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-12-pyrano[5,6-a]xanthenone; 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[5,6-a]xanthen-12-one;AIDS180907 |
C23H22O6 |
394.4 g/mol |
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C |
|
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 |
|
TCMBANKIN058804 |
8-Isopentenyl-kaempferol |
De-O-methylanhydroicaritin; Noranhydroicaritin; CHEMBL192159; MolPort-039-063-533; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; LMPK12111981; 28610-31-3; desmethylicaritin; AC1NSX3I; AKOS025288161; 8-c-prenylkaempferol; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 4CN-2888; 8-isopentenyl-kaempferol; BG01643044; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-Prenylkaempferol; Desmethyl Icaritin; FT-0666133; DTXSID70415743; 0V5XK67Y0S; UNII-0V5XK67Y0S; 4'-Desmethylicaritin; SCHEMBL4223551; 3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-; Noranhydroicartin; W-202198; ZINC14762765;desmethylicaritin |
C20H18O6 |
354.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN058805 |
Anhydroicaritin |
118525-40-9; anhydroicaritin; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone |
C21H20O6 |
368.38 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
|
TCMBANKIN058806 |
Glabranin |
(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchroman-4-one; NCGC00017206-01; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-; 41983-91-9; (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one; glabranin; TNP00074; (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-4-chromanone; AIDS095899; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (S)-; (S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-4H-1-benzopyran-4-one; AIDS-095899; TimTec1_002029; NCGC00142379-01; ZINC00113294; C09752; ST024709;glabranine |
C20H20O4 |
324.37g/mol |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3)C |
|
TCMBANKIN058807 |
Alloisoimperatorin |
4-HYDROXY-9-(3-METHYLBUT-2-EN-1-YL)FURO[3,2-G]CHROMEN-7-ONE; Ambap35214-83-6; 4-hydroxy-9-(3-methylbut-2-enyl)-7-furo[3,2-g]chromenone; AC1NSVLJ; 4-hydroxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; Alloisoimoeratorin; 35214-83-6; 4-Hydroxy-9-(3-methyl-2-butenyl)furo(3,2-g)chromen-7-one; 4-Hydroxy-9-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one #; alloisoimperatorin; alloisoimperatorin ; ZINC2563652; MolPort-044-754-195; ACM35214836; 4-Hydroxy-9-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; JLCROWZWGSUEMR-UHFFFAOYSA-N |
C16H14O4 |
270.28 g/mol |
CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C |
|
TCMBANKIN058810 |
alloimperatorin |
9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo(3,2-g)(1)benzopyran-7-one; NSC 301051; DTXSID20214400; AC1Q6A0B; CHEBI:2599; 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; KDXVVZMYSLWJMA-UHFFFAOYSA-N; ZINC898013; 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one; 9-hydroxy-4-(3-methyl-2-butenyl)-; 642-05-7; UNII-3043NX3603; MCULE-9129731017; 9085AF; ST4140654; Alloimperatorin; 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, .delta.-lactone; allo-imperatorin; Prangenidin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-4-(3-methyl-2-butenyl)-; STK691969; AKOS000276831; 3043NX3603; BG00977034; SCHEMBL6272567; MolPort-000-880-983; AC1L2C0Q; 7H-Furo[3, 9-hydroxy-4-(3-methyl-2-butenyl)-; C09053; NSC301051; NSC-301051; alloimperalorin; |
C16H14O4 |
270.28 g/mol |
CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C |
|
TCMBANKIN058821 |
lycopene |
lycopene ; .psi.,.psi.-Carotene; CHEMBL1984187; ZINC73316185; 2,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-; NSC-407322; NSC407322; all-trans-Lycopene; Lycopene all-trans-; C05432; Spectrum4_001998; KBio2_002146; Lycopene, all-trans- (8CI); BSPBio_003389; (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; trans-Lycopene; NSC 407322; Lycopene (VAN); NCGC00166291-01; EINECS 207-949-1; 502-65-8; KBio2_004714; Lycopene; Spectrum_001666; KBio3_002892; KBioSS_002146; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; CCRIS 7925; NCI60_003882; CI 75125; LMPR01070257; L9879_SIGMA; Lycopene 7; Spectrum3_001805; Psi,psi-carotene; KBioGR_002563; C.I. 75125; 2,6,10,14,19,23,27,31-Octamethyl-dotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; CHEBI:15948; KBio2_007282; Natural yellow 27; LYC |
C40H56 |
536.9 g/mol |
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C |
|
TCMBANKIN058827 |
sanggenol |
sanggenol A;sanggenol a |
C25H28O6 |
424.49 |
CC(=CCCC(=CCC1=C(C=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C)C |
|
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 |
|
TCMBANKIN058847 |
Auraptene |
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-chromenone; NCGC00096070-03; NCGC00096070-04; NSC711511; 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]coumarin; auraptene; MLS001049098; SPECTRUM1505176; STOCK1N-26363; SMR000386931; 7-Geranyloxycoumarin; 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one; ACon1_000071; ZINC01658901; MEGxp0_000091; auraptene ; 7-(3,7-dimethylocta-2,6-dienoxy)-2-chromenone; 2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-; UPCMLD-DP061:001; 7-(3,7-dimethylocta-2,6-dienoxy)chromen-2-one; 7-(3,7-dimethylocta-2,6-dienoxy)coumarin; Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-; 2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-; 495-02-3; NCGC00096070-01; aurapten |
C19H22O3 |
298.4 g/mol |
CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
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 |
|
TCMBANKIN058900 |
myrrhanol a |
myrrhanol C; myrrhanol B; Myrrhanol A |
C30H52O3 |
460.7 g/mol |
CC(=CCCC1C2(CCC(C(C2CCC1(C)O)(C)C)O)C)CCC=C(C)CCC=C(C)CO |
|
TCMBANKIN058905 |
phel-lopterin |
CHEMBL452751; CHEBI:80887; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ZINC1559986; FT-0698105; C17047; 2543-94-4; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; HMS2203M11; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-9-((3-methyl-2-butenyl)oxy)-; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one; SMR000156210; PHELLOPTERIN(P); 4CN-3199; AK163810; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; cid_98608; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-9-[(3-methyl-2-butenyl)oxy]-; HMS3356N05; MolPort-009-015-193; NCGC00247535-02!4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; 4-METHOXY-9-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; BDBM81058; NSC 152469; SCHEMBL2468854; NSC152469; NCGC00247535-01; MLS000574895; AE-641/05533037; DTXSID30180086; ST24048894; AC1L40AH; Phelloterin; 7H-Furo[3,2-g][1]benzopyran-7-one,4-methoxy-9-[(3-methyl-2-buten-1-yl)oxy]-; MCULE-3441916605; NSC-152469; phellopterin; AC1Q6AY6; BMLZFLQMBMYVHG-UHFFFAOYSA-N; AKOS024465013 |
C17H16O5 |
300.3 g/mol |
CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C |
|
TCMBANKIN058906 |
imperatorin |
HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; 8-isopent-2-enyloxy-6,7-furanocoumarin; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; imperatorin ; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; AIDS071128; MLS000574838; ZINC00001904; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; SpecPlus_000755; Spectrum_000755; KBioGR_001864; KBio2_001235; EINECS 207-581-1; Pentosalen; SPBio_000531; KBio2_006371; SMR000156241; WLN: T C566 DO LVOTJ BO2UY1&1; Spectrum5_000244; KBio2_003803; AI3-61725; Spectrum3_000145; NCGC00095209-02; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; CCRIS 4346; Imperatorin; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; SPECTRUM102076; HSDB 3497; C09269; AIDS-071128; KBio1_001795; 8-Isoamylenoxypsoralen; NSC 402949; NSC402949; MEGxp0_000089; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; KBioSS_001235; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; Oprea1_407817; 482-44-0; Spectrum4_001422; Marmelosin; NCGC00095209-01; SDCCGMLS-0066373.P001; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ST5308976; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; 5-Benzofuranacrylic acid, 6-hydroxy-7-[(3-methyl-2-butenyl)oxy]-, .delta.-lactone; DivK1c_006851; Spectrum2_000376; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; 70102-00-0; BSPBio_001850; HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; Ammidin; imperatorine |
C16H14O4 |
270.28 g/mol |
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
|
TCMBANKIN058907 |
Azeton |
ACETONE; 673781_ALDRICH; Methyl ketone; Propanon; propan-2-one; C00207; W332615_ALDRICH; Pyroacetic acid; 40308_RIEDEL; 67-64-1; EPA Pesticide Chemical Code 004101; propanone; CHEBI:15347; dimethylcetone; ST5214392; HSDB 41; 414689_ALDRICH; Acetone [UN1090] [Flammable liquid]; 323772_ALDRICH; Chevron acetone; 320110_SIAL; c0556; 154598_SIAL; EINECS 200-662-2; Aceton [German, Dutch, Polish]; Dimethylketal; 00561_FLUKA; Dimethylketon; 34850_SIAL; 2-propanone; Acetone (TN); 179973_ALDRICH; Dimethylformaldehyde; dimethylketone; WLN: 1V1; Acetone (NF); ZINC00895111; RCRA waste number U002; 24201_RIEDEL; Aceton; RCRA waste no. U002; 179124_SIAL; 34480_RIEDEL; FEMA No. 3326; UN1090; Pyroacetic ether; Ketone, dimethyl-; 270725_ALDRICH; 534064_ALDRICH; 90872_FLUKA; Ketone, dimethyl; Caswell No. 004; 32201_RIEDEL; D02311; InChI=1/C3H6O/c1-3(2)4/h1-2H; Dimethyl ketone; AI3-01238; NCGC00091179-01; Dimethyl formaldehyde; 40289_RIEDEL; W332607_ALDRICH; Ketone propane; NSC135802; NSC 135802; .beta.-Ketopropane; beta-Ketopropane; 650501_ALDRICH; CCRIS 5953; Acetone (natural); 443638_SIAL; 439126_ALDRICH;acetone |
C3H6O |
58.08 |
CC(=O)C |
|
TCMBANKIN058908 |
Butanedione |
diacetyl; 2,3-Butanedione; biacetyl; 2,3-Butadione; 2,3-diketobutane; dimethylglyoxal; WLN: 1VV1; 4-01-00-03644 (Beilstein Handbook Reference); EU-0100387; Diacetyl (natural); NSC8750; W237035_ALDRICH; 2,3-Butanedione (8CI,9CI); Butanedione; 2,3-butanedione; UN2346; SGCUT00113; InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H; Lopac-D-3634; 11038_FLUKA; CCRIS 827; EINECS 207-069-8; dimethyl diketone; ZINC01532732; 151677-70-2; to_000005; 625-34-3; Butanal, 3-oxo-; FEMA No. 2370; NCGC00015336-01; DIACETYL; Butane-2,3-dione; CHEBI:16583; NSC 8750; Butanedione [UN2346] [Flammable liquid]; LS-116; W237000_ALDRICH; 31530_FLUKA; Lopac0_000387; Butanedione [UN2346] [Flammable liquid]; BRN 0605398; 2,3-dioxobutane; butadione; 431-03-8; C00741; NCGC00090746-01; AI3-03313; 2,3-butandione; HSDB 297; Acetoacetaldehyde; B85307_ALDRICH; Dimethyl glyoxal; Glyoxal, dimethyl- |
CH3COCOCH3 |
86.09 g/mol |
CC(=O)C(=O)C |
|
TCMBANKIN058928 |
1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone |
1-(5,7,8-trimethoxy-2,2-dimethyl-chromen-6-yl)ethanone; 1-(5,7,8-trimethoxy-2,2-dimethyl-6-chromenyl)ethanone; Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; Ketone, methyl 5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl |
C16H20O5;C26H30O9 |
292.33 g/mol |
CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
|
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 |
|
TCMBANKIN058964 |
heparin |
enoxaparin;nadroparin |
C26H42N2O37S5 |
1134.9 g/mol |
CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O |
|
TCMBANKIN058968 |
Tereton |
ACETIC ACID,METHYL ESTER; Devoton; FEMA Number 2676; W267619_ALDRICH; Ethyl ester of monoacetic acid; Methylacetat; 79-20-9; Methyl acetic ester; FEMA No. 2676; METHYL ACETATE; EINECS 201-185-2; ZINC01597766; Methylacetat [German]; Metile (acetato di); WLN: 1VO1; acetic acid methyl ester; CCRIS 5846; 45999_FLUKA; Acetate de methyle; Metile (acetato di) [Italian]; Methylacetaat [Dutch]; UN1231; Acetate de methyle [French]; InChI=1/C3H6O2/c1-3(4)5-2/h1-2H; 45997_FLUKA; Methylacetaat; 186325_ALDRICH; NSC 405071; 45998_FLUKA; Methylester kiseliny octove; Methyle (acetate de) [French]; HSDB 95; 296996_ALDRICH; W267600_ALDRICH; Acetic acid, methyl ester; Methyl ethanoate; Methyle (acetate de); Octan metylu; Methyl acetate [UN1231] [Flammable liquid]; NCGC00090940-01; Methyl acetate (natural); Methylester kiseliny octove [Czech]; Octan metylu [Polish]; NSC405071 |
C3H6O2 |
74.08 |
CC(=O)OC |
|
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 |
|
TCMBANKIN059011 |
18797-80-3 |
acetycorynoline; acetylcorynoline |
C23H23NO6 |
409.43 |
CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3 |
|
TCMBANKIN059034 |
anomalamide |
Asperglaucide; asperglaucide; N-benzoylphenylalanyl-L-phenylalaninol acetate; aurantiamide acetate; aurentiamide acetate; aurantiamide acetate; [(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate; AC1NT07U |
C27H28N2O4 |
444.52 |
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
|
TCMBANKIN059066 |
L-Milchsaeure |
L-Lactic acid; CHEBI:422; L6402_SIGMA; Propanoic acid, 2-hydroxy-, (S)-, homopolymer; nchembio867-comp9; 26811-96-1; 79-33-4; (S)-()-Lactic acid; L-()-Lactic acid; 46937_SUPELCO; (2S)-2-hydroxypropanoic acid; C00186; InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6; 27715_RIEDEL; (2S)-2-Hydroxypropanoic acid homopolymer; L1750_SIGMA; 199257_ALDRICH; 69771_FLUKA |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN059070 |
BU3 |
237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN059085 |
oxypeucedanin hydrate |
NCGC00169070-01; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-; HMS2267N05; NCGC00169070-02!4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,4-(2,3-dihydroxy-3-methylbutoxy)-; MCULE-8387217181; BAS 00704766; 24724-52-5; 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one; AC1LA8IU; oxype-ucedanin hydrate; MEGxp0_000084; 4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one #; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-; BRD-A22947368-001-01-7; oxypeucedanin hydrate ; PEWFWDOPJISUOK-UHFFFAOYSA-N; CTK0J4642; Oprea1_667233; 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one; MolPort-000-761-123; Oprea1_033750; MLS000877013; AC1Q6AYA; AKOS003601375; 4-(2,3-Dihydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one; SCHEMBL15944413; Hydrated oxypeucedanin; NP-000248; 4-(2,3-dihydroxy-3-methyl-butoxy)furo[3,2-g]chromen-7-one; SMR000440613; ACon1_000447; CHEMBL1438253; HMS3347D15; 4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one; DTXSID10333114; (+/-)-Prangol;4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-7-furo[3,2-g]chromenone; 4-[(2S)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one; ZINC00477939;(s)-(?)-oxypeucedaninhydrate;aviprin;(+)-oxypeucedanin hydrate |
C16H16O6 |
304.29 g/mol |
CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O |
|
TCMBANKIN059090 |
tert-Butylurea |
FR-2318; N-tert-Butylurea; 1118-12-3; (1,1-Dimethylethyl)urea; BRN 1744501; 4-04-00-00665 (Beilstein Handbook Reference); NSC4604; Urea, tert-butyl-; 19939_FLUKA; EINECS 214-257-3; SBB008606; NSC 4604; Urea, (1,1-dimethylethyl)-; ZINC00397497 |
C5H12N2O |
116.16 |
CC(C)(C)NC(=O)N |
|
TCMBANKIN059095 |
2-methyl-3-buten-2-ol |
alpha,alpha-Dimethylallyl alcohol; 2-methylbut-3-ene-2-ol; 3-Hydroxy-3-methylbutene; TRA0020327; Methylbutenol; DTXSID3047471; 2-METHYL-3-BUTEN-2-OL; 1,1-Dimethyl-2-propen-1-ol; CAS-115-18-4; CTK0H5270; CHEBI:132752; .alpha.,.alpha.-Dimethylallyl alcohol; ACMC-1C7AH; 1,1-Dimethyl-2-propenyl alcoho; 3-Hydroxy-3-methyl-1-butene; isoprenyl alcohol; NCGC00357265-01; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); RTR-034118; 2-Methyl-3-buten-2-ol, analytical standard; 3-methylbut-1-en-3-ol; AN-22741; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 1-dimethyl-2-propenol; UNII-SH64HE46L9; Dimethylvinylmethanol; NSC15977; 1,1-dimethyl-2-propenyl alcohol; STOCK1N-73566; 2-vinyl-2-propanol; 1,1-Dimethylallyl alchol; 3-Methyl-1-butene-3-ol; MCULE-5809739830; 3-Methyl-buten-(1)-ol-(3) [German]; 2-Methyl-3-butene-2-ol; 2-hydroxy-2-methyl-3-butene; methyl-3-buten-2-ol, 2-; 2-methyl-but-3-en-2-ol; 3-methyl-but-1-en-3-ol; NSC-15977; 115-18-4; KSC175E7B; AC1Q718W; KB-68998; Jsp001113; AKOS009156785; SH64HE46L9; 1,1-Dimethyl-2-propanol; AC1L1QLP; 1, 1-Dimethyl-2-propenol; C5H10O; BRN 1698263; CJ-29489; ZINC1733761; 2-Methyl-3-buten-2-ol, 98%; 2-Methyl-2-hydroxy-3-butene; EINECS 204-068-4; I14-17405; LS-47240; 3-hydroxy-3-methylbut-1-ene; NSC 15977; 3-methyl-3-hydroxybut-1-ene; 3-Buten-2-ol, 2-methyl-; EC 204-068-4; Dimethylvinylcarbinol; dimethyl vinyl carbinol; FT-0612937; DSSTox_GSID_47471; C21402; Tox21_303823; 2-Methyl-3-buten-2-ol, >=98%; 1-dimethylallyl alcohol; MolPort-001-792-058; 3-methyl-buten-3-ol; 7316AF; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 2-Methyl but-3-ene-2-ol; 1-Buten-3-ol, 3-methyl-; 2-Methyl-3-buten-2-yl alcohol; M0178; 3-Methyl-1-buten-3-ol; TR-034118; HNVRRHSXBLFLIG-UHFFFAOYSA-N; 1,1-Dimethyl-2-propenol; DSSTox_CID_27471; Vinyldimethylcarbinol; CH2=CHC(CH3)2OH; ANW-16850; KS-00000UWF; DB-060705; MFCD00004470; 2-Methylbut-3-en-2-ol; 3-Methyl-buten-(1)-ol-(3); AC1Q1NNW; 1, 1-Dimethylallyl alcohol1,1-Dimethylallyl alchol; alpha,alpha-Dimethylallyl alcohol; 2-Methyl-3-buten-2-ol; 3-Hydroxy-3-methylbutene; EINECS 204-068-4; 66090_FLUKA; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 3-Methyl-buten-(1)-ol-(3) [German]; .alpha.,.alpha.-Dimethylallyl alcohol; 1-Buten-3-ol, 3-methyl-; 115-18-4; 2-Methyl-3-buten-2-yl alcohol; 3-Methyl-1-buten-3-ol; W503908_ALDRICH; 3-Hydroxy-3-methyl-1-butene; NSC 15977; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); 3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propanol; Vinyldimethylcarbinol; ZINC01733761; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 2-Methylbut-3-en-2-ol; BRN 1698263; Dimethylvinylcarbinol; Dimethylvinylmethanol; 136816_ALDRICH; 1,1-Dimethyl-2-propenol; NSC15977; 2-Methyl-2-hydroxy-3-butene |
C5H10O |
86.13 g/mol |
CC(C)(C=C)O |
|
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 |
|
TCMBANKIN059100 |
Ammijin |
27497-13-8; Ammajin; marmesinin, 7H-Furo(3,2-g)(1)benzopyran-7-one, A-d-glucopyranoside; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; MolPort-039-338-572; 2-[(2s)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl ; Ammajin; ZINC31597169; AC1Q6A35; CHEBI:132401; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (-)-Marmesinin; 1C1VEU88IF; 495-30-7; Marmesinin; (-)-marmesin beta-D-glucoside; Ammijin; 7h-furo benzopyran-7-one,2-(1-2,3-dihydro-, -; 27497-13-8; UNII-1C1VEU88IF; AC1L50FF; 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; 495-30-7; (-)-Marmesinin; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
C20H24O9 |
408.4 |
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)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 |
|
TCMBANKIN059158 |
Dasycarpamin |
dasycarpamin; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]carbostyril; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one;dasycarpamine |
C17H21NO4 |
303.35 |
CC(C)C=CC1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC |
|
TCMBANKIN059159 |
capsaicin |
8-Methyl-N-vanillyl-6-nonenamide, (E)-; AKOS007930159; Bio-0615; GTPL2486; Bio2_000748; EPA Pesticide Chemical Code 070701; Zostrix HP; S07O44R1ZM; TC-030399; 360376_ALDRICH; NCGC00017337-07; Citrus Aurantium 30%; AK589917; ZOSTRIX (TN); HMS2230O23; D0U5CE; HMS1989N10; IDI1_034018; DSSTox_GSID_20241; Isodecenoic acid vanillylamide; NGX-7325; NCGC00017337-04; HMS1791N10; NCGC00090853-08; NCGC00090853-11; KBio3_000536; (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl); NSC-757844; M2028_SIGMA; E-CAPSAICIN; Capsaicin, from Capsicum sp., >=50% (HPLC); (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; MCULE-8056866140; Capsaicin [USP:INN]; NCGC00257869-01; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-; DB06774; trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; SMR000718774; KBioGR_000268; MEGxp0_001448; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-; Caswell No. 158; Prestwick2_000879; KBio1_000354; FEMA No. 3404; Capsaicin, analytical standard; N735; HMS3649N15; SBI-0052593.P002; AJ-26667; BRD-K50590187-001-06-6; CAS_404-86-4; NCGC00017337-02; HMS1921H11; 8-Methyl-N-vanillyl-trans-6-nonenamide; 21750_FLUKA; ZINC01530575; Vanilloid; YKPUWZUDDOIDPM-SOFGYWHQSA-N; MR3H3; (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-; HMS1570P19; capsaicin ; Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8 -methyl-, (E)-; KBio3_000535; Zostrix (TN); KBio2_000783; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-; NCGC00017337-06; Capsaicin, European Pharmacopoeia (EP) Reference Standard; Capsicin; N-(3-Methoxy-4-hydroxybenzyl)-8-methyl-6-nonenamide; KBioSS_000783; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-; Bitter orange extract 30%; N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide; SR-05000001861-5; Capsaicin, certified reference material, TraceCERT(R); CAPSAICIN, NATURAL; DSSTox_RID_75455; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; Capsaicin, Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; depletes Substance P; trans-8-Methyl-N-vanillyl-6-nonenamide; BDBM20461; MolPort-001-742-263; 1217899-52-9; NCGC00090853-03; SR-05000001861; Spectrum_000303; UPCMLD-DP092:001; Capsaicin, >=95%, from Capsicum sp.; Capsaicin (transdermal patch formulation, neuropathic pain); I01-2469; Nonenamide, 8-methyl-N-vanillyl-, (E)-; SR-05000001861-9; CC0144; Transacin; AC1Q46B3; SDCCGMLS-0066678.P001; SR-05000001861-6; Axsain; AN-23437; (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide; (E)-N-(4-Hydroxy-3-methoxybenzyl); (E)8-methyl-N-vanillyl-6-Nonenamide; CCRIS 1588; Capsaicin (JAN/USP); Capsaicin (Natural); trans-Capsaicin-d3; N0C781; trans-8-Methyl-N-vanillylnon; M1149; SC-19636; (E)-N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Styptysat; HMS2097P19; NCGC00017337-11; KBio3_002417; neurotoxic; CHEMBL294199; Capsaicin (in oleoresin of capsicum); NCGC00090853-01; N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Capsaicin [USAN]; Capsicine; NCGC00017337-08; NCGC00017337-09; C06866; N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide; NGX-1998; Tox21_110817; SCHEMBL8086; UNII-S07O44R1ZM; NSC 56353; (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE; BDBM86537; LMFA08020085; N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; KBio2_002836; trans-8-methyl-N-vanillyl-6-nonenamide; NCGC00090853-06; CHEBI:94524; NCGC00090853-09; NCGC00090853-02; Bio2_000268; HMS3402N10; Prestwick_204; Prestwick3_000879; 8-Methyl-N-vanillyl-6E-nonenamide; Spectrum4_001739; 8-Methyl-N-Vanillyl-6-Nonenamide; N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; BSPBio_001548; LS-2138; Capsaicin, United States Pharmacopeia (USP) Reference Standard; KBioGR_002158; EINECS 206-969-8; Bio1_000468; SPBio_002878; KBio2_000268; MFCD00017259; Bio1_001446; nchembio862-comp2; 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl; NSC-56353; NSC757844; DTXSID9020241; Ausanil; HMS501B16; HMS2092D21; EI-125; NCGC00090853-04; AK113598; NCI-C56564; Qutenza; SR-05000001861-4; [(E)-N-(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; Adlea; MLS002154049; (E)-8-Methyl-N-vanillyl-6-nonenamide; Pharmakon1600-01501128; Spectrum5_000538; (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; 6-Nonenamide, (E)-; SCHEMBL8085; AB00053098-11; Capsaicin [in oleoresin of capsicum]; CJ-23980; NCGC00017337-12; HSDB 954; NGX 4010; CAS-404-86-4; BRN 2816484; 4CH-016296; NSC56353; IDI1_000354; RTC-030399; (E)-Capsaicin; TL8002946; NCGC00017337-05; CS-1518; Mioton; BG01597556; DivK1c_000354; 12084_FLUKA; Bio1_000957; AC-10114; AC1LU7K3; UPCMLD-DP092; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; TQ-1018; FT-0082538; Zostrix; NCGC00017337-03; AB00053098_12; SPECTRUM1501128; KS-5181; Prestwick1_000879; Capsaicin, from natural source; NCGC00017337-13; n-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide; Spectrum2_000770; NSC_2548; Prestwick0_000879; BPBio1_001053; NCGC00090853-10; C18H27NO3; NCGC00090853-12; W-5044; CAPSAICINE; SR-05000001861-1; Tox21_200315; HMS1361N10; D00250; (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #; Spectrum3_001449; HY-10448; (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide; BSPBio_002917; ST057183; KBio2_005919; ZINC1530575; SPBio_000820; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NCGC00017337-10; CCG-39908; STL372889; N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide; Capsaicin Patch; UPCMLD-DP092:002; NGX-3781; BBL027836; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; Capsaicin (8-Methyl-N-vanillyl-6-nonenamide); 912457-62-6; HMS2089N11; Capsaicin; epsilon-capsaicin; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NGX-4010; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- (8CI); KBioSS_000268; 21748_FLUKA; Citrus Aurantium Extract; KBio2_005404; TNP00277; trans-Capsaicin; CHEBI:3374; Capsaicin(Qutenza); CITRUS AURANTIUM PE; CAPSAICIN (2444-46-4 NONIVAMIDE (SYNTHETIC CAPSAICIN)); N1667; BSPBio_000957; 4-13-00-02588 (Beilstein Handbook Reference); BRD-K37056290-001-01-1; KBio2_003351; NCGC00090853-07; SMP2_000337; NINDS_000354; Isodecenoate; DSSTox_CID_241; ALGRX 4975; 404-86-4; CAPSAICINOIDS;Vanilloid;campsiol;capsaicin |
C18H27NO3 |
305.41 |
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059165 |
isomicropinic acid;sugiol |
(4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one; AC1NT0MY; 7-carbonyl-12-hydroxy-dehydroabietane; 1,1,4abeta-Trimethyl-6-hydroxy-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-one; SCHEMBL17407685 |
C20H28O2 |
300.44 |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
|
TCMBANKIN059168 |
Tryptophenolide |
KBio1_001606; KBio2_007338; KBio3_002756; Spectrum2_001618; KBio2_004770; KBio2_002202; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; BSPBio_003528; SDCCGMLS-0066775.P001; hypolide; (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one; Spectrum4_001660; Spectrum5_000539; SPECTRUM1504005; DivK1c_006662; SPBio_001655; Triptophenolide; (3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; KBioGR_002159; Spectrum_001722; Spectrum3_001928; 74285-86-2; SpecPlus_000566; KBioSS_002202 |
C20H24O3 |
312.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O |
|
TCMBANKIN059169 |
neocryptotanshinone ii |
1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AC1NSZ0S;deoxyneocryptotanshinone |
C19H22O3 |
298.4 g/mol |
CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
|
TCMBANKIN059171 |
(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
triptonoterpenol;(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one; (1R,4aR,10aS)-5-hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-1-methylol-4,9,10,10a-tetrahydro-3H-phenanthren-2-one; 110187-23-0; 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4aalpha,10abeta))- |
C21H30O4 |
346.46 |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O |
|
TCMBANKIN059172 |
81827-74-9 |
(3bR,9bS)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one;AC1NSZ34; 9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one;neotriptophenolide |
C21H26O4 |
342.43 |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O |
|
TCMBANKIN059184 |
Dehydromiltirone |
3,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-; AC1MIZGJ; 7,8-Dihydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; SCHEMBL13568177; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-dione; 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-quinone; 1,2-Didehydromiltirone; 2-ISOPROPYL-8,8-DIMETHYL-7H-PHENANTHRENE-3,4-DIONE; 116064-77-8; DTXSID50151273; BG00988852; dehydromiltirone; 9186AF; MolPort-039-141-877; ZINC14594276;280.4 g/mol |
C19H20O2 |
280.36 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
|
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 |
|
TCMBANKIN059230 |
isovalericacid |
LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid |
C5H10O2 |
102.13 g/mol |
CC(C)CC(=O)O |
|
TCMBANKIN059252 |
3,7, 11, 15-tetramethyl- 2- hexadecen- 1- ol |
phytol; phytol or 2-hexadecen-1-ol,3,7,11,15-tetramethyl-; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-tetramethyl-2-hexadecen-1-ol; 7541-49-3; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))- (9CI); (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; CHEBI:17327; (2E)(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-; (E)-Phytol; BRN 1726098; 5016-81-9; LMPR01040057; EINECS 205-776-6; 4-01-00-02208 (Beilstein Handbook Reference); AI3-24344; AIDS058679; (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol; C01389; 3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL; (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; trans-Phytol; 150-86-7; 3,7,11,15-Tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-; AIDS-058679; Phytol |
C20H40O |
296.5 g/mol |
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C |
|
TCMBANKIN059268 |
guineensine |
55038-30-7; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyl-trideca-2,4,12-trienamide |
C24H33NO3 |
383.5 g/mol |
CC(C)CNC(=O)C=CC=CCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059305 |
Curlone |
curlone; b-Turmerone;beta-turmerone;beta-turmerone |
C15H22O |
218.33 |
CC(CC(=O)C=C(C)C)C1CCC(=C)C=C1 |
|
TCMBANKIN059329 |
(+)-Anwulignan |
SMR000445701; MLS000728494; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol;macelignan |
C20H24O4 |
328.4 g/mol |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC |
|
TCMBANKIN059330 |
isodihydrofutoquinol a |
|
C21H24O5 |
356.41 |
CC(CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
|
TCMBANKIN059336 |
tauroursodeoxycholic acid |
tauroursodeoxycholicacid; ursodeoxycholicacid; ursodeoxycholic acid |
C26H45NO6S |
499.7 g/mol |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
|
TCMBANKIN059367 |
1,2-propanediol |
aliphatic alcohol; Centella sugar; PGR; (S)-(+)- 1,2-propanediol; 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 or CH3CHOHCH2OH |
76.09 g/mol |
CC(CO)O |
|
TCMBANKIN059369 |
2-methyl-2-butene |
HSDB 2072; 3-Methyl-2-butene; 2-Methyl-2-butene; .beta.-Isoamylene; InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H; Methyl butene; 304042_ALDRICH; M32704_ALDRICH; beta-Isoamylene; NSC 74118; AI3-37711; 66050_FLUKA; 2-Methyl-2-butene solution; A07603500; 379263_ALDRICH; EINECS 208-156-3; 2-Methyl-2-butene [UN2460] [Flammable liquid]; 2-Methylbut-2-ene; 86262_FLUKA; 1,1,2-Trimethylethylene; 513-35-9; n-Amylene; Ethylene, trimethyl-; 2-Butene, 2-methyl-; Amylene (VAN); b-isoamylene; NSC74118; Trimethylethylene; WLN: 2UY1&1; UN2460 |
C5H10 |
70.13 g/mol |
CC=C(C)C |
|
TCMBANKIN059373 |
Zosimin |
2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate; Columbianadin; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-; SMR000156217; (Z)-2-methylbut-2-enoic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-; 5058-13-9; AIDS071122; MLS000574825; AIDS-071122; (Z)-2-methylbut-2-enoic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester;columbianadin;HMS3351K09 |
C19H20O5 |
328.36 g/mol |
CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
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 |
|
TCMBANKIN059383 |
Praeruptorin A |
praeruptorin A; dl-praeruptorin A; Pd-Ia; AC1NSZRS; praeruptorin a; [9-[(Z)-but-2-enyl]-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate; praeruptorin A; dl-praeruptorin a; (+-)praeruptorin a; (-)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin; isopteryxin; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; isopteryxin |
C21H22O7 |
386.4 g/mol |
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C |
|
TCMBANKIN059384 |
praeruptorin E |
praeruptorin C; praeruptorin e;(+)-praeruptorin e; (+) praeruptorin e;Pd-II;pra-C; praeruptorin C; Pra-C, 2-methyl-,10-(acetyloxy)-9,10- dihydro-8,8-dimethyl-2-oxo-2H, 8H-benzo[1,2-b:3,4-b'] dipyran-9-ol ester of 2-butenoic acid;(+)praeruptorin e;praeruptorin c;(+)praeruptorin c;qianhucoumarin h;(+-)praeruptorin b |
C24H28O7 |
428.5 g/mol |
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C |
|
TCMBANKIN059392 |
3'-O-angeloylhamaudol |
3'-o-angeloylhamaudol; AC1NSXB0; (5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate;3-o-angeloylhamaudol |
C20H22O6 |
358.42 |
CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C |
|
TCMBANKIN059393 |
ledebouriellol |
ledebouliellol |
C20H22O7 |
374.4 g/mol |
CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C |
|
TCMBANKIN059404 |
Guggulsterone |
|
C21H28O2 |
312.45 |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
|
TCMBANKIN059409 |
mollislactone |
|
C15H20O2 |
232.32 |
CC=C1C2=CCCC=C(CCCC2OC1=O)C |
|
TCMBANKIN059426 |
(E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one |
|
C13H18O |
190.28 g/mol |
CC=CC(=O)C1=C(C=CCC1(C)C)C |
|
TCMBANKIN059427 |
beta-damascone |
|
C13H20O |
192.3 g/mol |
CC=CC(=O)C1=C(CCCC1(C)C)C |
|
TCMBANKIN059438 |
2-methoxy-4-propenyl phenol |
|
C10H12O2 |
164.2 g/mol |
CC=CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059439 |
Machilin D |
|
C20H24O5 |
344.4 g/mol |
CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)O)OC)O)OC |
|
TCMBANKIN059445 |
Licarin A |
|
C20H22O4 |
326.39 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN059446 |
acuminatin |
|
C21H24O4 |
340.4 g/mol |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN059449 |
Izosafrol |
|
C10H10O2 |
162.19 |
CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059452 |
ethyl aldehyde |
|
C2H4O |
44.05 g/mol |
CC=O |
|
TCMBANKIN059457 |
glycyrrhiza-flavonol a |
|
C20H18O7 |
370.4 g/mol |
CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
|
TCMBANKIN059458 |
jatamansinol;Lomatin |
|
C14H14O4 |
246.26 g/mol |
CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C |
|
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 |
|
TCMBANKIN059475 |
bya-kangelicol |
|
C17H16O6 |
316.3 g/mol |
CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C |
|
TCMBANKIN059476 |
9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one |
|
C16H16O6 |
304.29 |
CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C |
|
TCMBANKIN059478 |
oxypeucedanin |
|
C16H16O5 |
286.28 |
CC1(C(O1)COC2=CCOC3=CC4=C(CC(=O)O4)C=C23)C |
|
TCMBANKIN059485 |
atalantoflavone |
|
C20H16O5 |
336.3 g/mol |
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C |
|
TCMBANKIN059486 |
xanthoxyletin |
|
C15H14O4 |
258.27 g/mol |
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
|
TCMBANKIN059489 |
Glabrone |
|
C20H16O5 |
336.34g/mol |
CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C |
|
TCMBANKIN059490 |
licoisoflavanone |
|
C20H18O6 |
354.35 |
CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=CC(=CC(=C4C3=O)O)O)C |
|
TCMBANKIN059491 |
Phaseolin |
|
C20H18O4 |
322.35 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C |
|
TCMBANKIN059493 |
Glyceollin |
|
C20H18O5 |
338.35 |
CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C |
|
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 |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059541 |
glycyrrhizin |
|
C42H62O16 |
822.93 |
CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C |
|
TCMBANKIN059639 |
Isoglycyrol |
|
C21H18O6 |
366.36 |
CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
|
TCMBANKIN059640 |
methyl 6-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate |
|
C17H18O4 |
286.32 g/mol |
CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C |
|
TCMBANKIN059645 |
isopimaric acid |
|
C20H30O2 |
302.5 g/mol |
CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C |
|
TCMBANKIN059660 |
Neoandrograph |
|
C26H40O8 |
480.6 g/mol |
CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN059683 |
USNIC ACID |
|
C18H16O7 |
344.32 |
CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O |
|
TCMBANKIN059739 |
1-methyl-5-vinylphenanthrene-2,7-diol |
|
C17H14O2 |
250.29 g/mol |
CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O |
|
TCMBANKIN059758 |
triptinin a |
|
C21H28O3 |
328.45 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)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 |
|
TCMBANKIN059807 |
Lactucopicrin |
|
C23H22O7 |
410.42 |
CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN059815 |
tanshinone i |
|
C18H12O3 |
276.3 g/mol |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
|
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 |
|
TCMBANKIN059871 |
chiratone;Chitranone |
|
C22H14O6 |
374.34 |
CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C |
|
TCMBANKIN059873 |
Khell |
|
C14H12O5 |
260.24 |
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
|
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
|
TCMBANKIN059901 |
p-xylene |
|
C8H10 |
106.17 |
CC1=CC=C(C=C1)C |
|
TCMBANKIN059907 |
(+)-alpha-Curcumene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN059928 |
emodin |
|
C15H10O5 |
270.24 g/mol |
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
|
TCMBANKIN059932 |
chrysophanol |
|
C15H10O4 |
254.24 |
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
|
TCMBANKIN059944 |
.alpha.-Ionene |
|
C13H18 |
174.28 |
CC1=CC2=C(C=C1)C(CCC2)(C)C |
|
TCMBANKIN059948 |
Vitamin- G |
|
C17H20N4O6 |
376.36 |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN060036 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN060039 |
THM |
|
C10H14N2O5 |
242.23 g/mol |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
|
TCMBANKIN060047 |
Dehydrotanshinone II A |
|
C19H16O3 |
292.33 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
|
TCMBANKIN060048 |
Przewaquinone E |
|
C18H16O5 |
312.32 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
|
TCMBANKIN060051 |
isotanshinone i |
|
C18H12O3 |
276.29 |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
|
TCMBANKIN060058 |
vitamin b6 |
|
C8H11NO3 |
169.18 g/mol |
CC1=NC=C(C(=C1O)CO)CO |
|
TCMBANKIN060060 |
harmine |
|
C13H12N2O |
212.25 |
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC |
|
TCMBANKIN060064 |
GA54 |
|
C19H24O6 |
348.39 g/mol |
CC12C(CC(C3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O)O |
|
TCMBANKIN060065 |
isocorynoline |
|
C20H23NO4 |
367.4 |
CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O |
|
TCMBANKIN060079 |
14-deoxy-11-oxoandrographolide |
|
C20H28O5 |
348.4 g/mol |
CC12CCC(C(C1CCC(=C)C2C(=O)CC3=CC(=O)OC3)(C)CO)O |
|
TCMBANKIN060086 |
gibberellin a 60;GA60 |
|
C19H24O6 |
348.39 |
CC12CCC(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
|
TCMBANKIN060110 |
oestrone |
|
C18H22O2 |
270.4 g/mol |
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
|
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 |
|
TCMBANKIN060116 |
zingiberol |
|
C15H26O |
222.37 g/mol |
CC12CCCC(=C)C1CC(CC2)C(C)(C)O |
|
TCMBANKIN060155 |
Ikarisoside C |
|
C38H48O20 |
824.8 g/mol |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O |
|
TCMBANKIN060176 |
naringin;Naringenin- 7- O- β- D- neohesperidoside |
|
C27H32O14 |
580.53 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
|
TCMBANKIN060189 |
platycodin d3 |
|
C63H102O33 |
1387.5 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(CO1)(CO)O)O)O |
|
TCMBANKIN060208 |
isoacteoside |
|
C29H36O15 |
624.6 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O |
|
TCMBANKIN060211 |
acteoside |
|
C29H36O15 |
624.6 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O |
|
TCMBANKIN060264 |
rutin |
|
C27H30O16 |
610.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
|
TCMBANKIN060274 |
Bisasarcin |
|
C24H32O6 |
416.51 |
CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C |
|
TCMBANKIN060288 |
Phenol, 4,4'-((2R,3R,4S,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-, rel- |
|
C20H24O5 |
344.4 g/mol |
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
|
TCMBANKIN060290 |
Galgravin;di-o-methyltetrahydrofuriguaiacin b;(?)-galbelgin;saucernetin;(±)-galgravin;Veraguensin;(+)-galbelgin |
|
C22H28O5 |
372.45 |
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C |
|
TCMBANKIN060293 |
(?)-zuonin a |
|
C20H20O5 |
340.4 g/mol |
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C |
|
TCMBANKIN060301 |
Bicyclo(3.2.1)oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1R-(6-endo,7-exo))- |
|
C20H22O5 |
342.39 |
CC1C(C2C(=O)C(=CC1(C2=O)OC)CC=C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN060321 |
kadsurin a. b |
|
C21H26O6 |
374.4 g/mol |
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN060324 |
(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-carbaldehyde |
|
C19H20O5 |
328.36 |
CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060325 |
kadsurenone |
|
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060326 |
denudatin,a |
|
C20H20O5 |
340.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
|
TCMBANKIN060361 |
yuanhunine |
|
C21H25NO4 |
355.4 g/mol |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)OC)OC |
|
TCMBANKIN060362 |
corybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC |
|
TCMBANKIN060364 |
thalictrifoline |
|
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
TCMBANKIN060373 |
thujylalcohol |
|
C10H18O |
154.25 g/mol |
CC1C2CC2(CC1O)C(C)C |
|
TCMBANKIN060387 |
isopteropodine |
|
C21H24N2O4 |
368.4 g/mol |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
|
TCMBANKIN060401 |
acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1-decalinyl] ester |
|
C22H34O5 |
378.5g/mol |
CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C |
|
TCMBANKIN060414 |
(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone |
|
C14H18O2 |
218.29 |
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C |
|
TCMBANKIN060417 |
Schisanhenol |
|
C23H30O6 |
402.5 g/mol |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC |
|
TCMBANKIN060418 |
Gomisin T |
|
C23H30O6 |
402.5 g/mol |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)O |
|
TCMBANKIN060419 |
(-)-Gomisin L2 |
|
C22H26O6 |
386.44 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3CC1C)OCO4)OC)OC)OC)O |
|
TCMBANKIN060420 |
Isoguaiacin |
|
C20H24O4 |
328.4 |
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC |
|
TCMBANKIN060422 |
gomisin o |
|
C23H28O7 |
416.5 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3 |
|
TCMBANKIN060424 |
(?)-gomisin l1 |
|
C22H26O6 |
386.44 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3 |
|
TCMBANKIN060433 |
gmelofuran;gmeloiuran |
|
C15H18O3 |
246.3 g/mol |
CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C |
|
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
|
TCMBANKIN060473 |
dehydroagastol |
|
C21H26O4 |
342.4 g/mol |
CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C |
|
TCMBANKIN060540 |
Boswellic acid;β一 boswellic acid;β-boswellicacid |
|
C30H48O3 |
456.7 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C |
|
TCMBANKIN060565 |
ledene |
|
C15H24 |
204.35 g/mol |
CC1CCC2=C(CCC3C(C12)C3(C)C)C |
|
TCMBANKIN060575 |
alpha-gurjunene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C(C2(C)C)C3=C(CCC13)C |
|
TCMBANKIN060603 |
1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one |
|
C15H22O |
218.37 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN060616 |
dihydrotanshinoneⅠ |
|
C18H14O3 |
45.043279 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C |
|
TCMBANKIN060617 |
1,2,5,6-tetrahydrotanshinone |
|
C18H16O3 |
280.3 g/mol |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
|
TCMBANKIN060618 |
tanshinaldehyde |
|
C19H18O4 |
310.3 g/mol |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
|
TCMBANKIN060622 |
Uregit |
|
C13H12Cl2O4 |
303.13 g/mol |
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl |
|
TCMBANKIN060623 |
tussilagin |
|
C23H34O5 |
390.51 |
CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C |
|
TCMBANKIN060633 |
PPI |
|
C3H6O2 |
74.08 g/mol |
CCC(=O)O |
|
TCMBANKIN060637 |
D-2-Aminobutyrate |
|
C4H9NO2 |
103.12g/mol |
CCC(C(=O)O)N |
|
TCMBANKIN060645 |
lovastatin |
|
C24H36O5 |
404.5 g/mol |
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C |
|
TCMBANKIN060655 |
jubanine A |
|
C40H49N5O6 |
695.8 g/mol |
CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C)OC |
|
TCMBANKIN060668 |
Methyl-14-methylhexadecanoate;14-methylhexadecaoic acid methyl ester;hexadecanoic acid,14-methyl-,methyl ester |
|
C18H36O2 |
284.48 |
CCC(C)CCCCCCCCCCCCC(=O)OC |
|
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 |
|
TCMBANKIN060704 |
(z,z,z)-9,12,15-octadecatrienoic acid |
|
C18H30O2 |
278.4 g/mol |
CCC=CCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060713 |
Methyl jasmonate |
|
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN060715 |
methyl (E)-dodec-9-enoate |
|
C13H24O2 |
212.33 |
CCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN060749 |
Deoxycamptothecine |
|
C20H16N2O3 |
332.38 g/mol |
CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2 |
|
TCMBANKIN060751 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN060756 |
isorhynchophylline |
|
C22H28N2O4 |
384.5 g/mol |
CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
|
TCMBANKIN060757 |
hirsutine |
|
C22H28N2O3 |
368.5 g/mol |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
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 |
|
TCMBANKIN060784 |
trans-ligustilide;Ligustilide |
|
C12H14O2 |
190.24 g/mol |
CCCC=C1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060786 |
BdPh |
|
C12H12O2 |
188.22 g/mol |
CCCC=C1C2=CC=CC=C2C(=O)O1 |
|
TCMBANKIN060791 |
anacaridic acid c |
|
|
344.54 |
CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN060817 |
alpha-eleostearic acid |
|
C18H30O2 |
278.4 g/mol |
CCCCC=CC=CC=CCCCCCCCC(=O)O |
|
TCMBANKIN060822 |
11-hexadecenoic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCC=CCCCCCCCCCC(=O)O |
|
TCMBANKIN060831 |
senkyunolide |
|
C12H16O2 |
192.25 g/mol |
CCCCC1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060834 |
neocnidilide |
|
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN060864 |
N-isobutyl-decatrans-2-trans-4-dienamide |
|
C14H25NO |
223.35 g/mol |
CCCCCC=CC=CC(=O)NCC(C)C |
|
TCMBANKIN060873 |
arachidonic acid |
|
C20H32O2 |
304.5 g/mol |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
|
TCMBANKIN060874 |
Ligla; gamma-linolenic acid |
|
C18H30O2 |
278.43 |
CCCCCC=CCC=CCC=CCCCCC(=O)O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=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 |
|
TCMBANKIN060911 |
Ethyl palmitelaidate; ethyl 9-hexadecenoate |
|
C18H34O2 |
282.46 |
CCCCCCC=CCCCCCCCC(=O)OCC |
|
TCMBANKIN060914 |
11-Octadecenoic acid |
|
C18H34O2 |
282.5 g/mol |
CCCCCCC=CCCCCCCCCCC(=O)O |
|
TCMBANKIN060937 |
linderic acid |
|
C12H22O2 |
198.3 g/mol |
CCCCCCCC=CCCC(=O)O |
|
TCMBANKIN060938 |
Isooleic acid |
|
C18H34O2 |
282.46 g/mol |
CCCCCCCC=CCCCCCCCCC(=O)O |
|
TCMBANKIN060941 |
γ-undecalactone |
|
|
|
CCCCCCCC1CCC(=O)O1 |
|
TCMBANKIN060946 |
ethyl nonanoate |
|
C11H22O2 |
186.29 |
CCCCCCCCC(=O)OCC |
|
TCMBANKIN060955 |
Hypogaeic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCCCC=CCCCCCC(=O)O |
|
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060969 |
Erucic acid |
|
C22H42O2 |
338.57 |
CCCCCCCCC=CCCCCCCCCCCCC(=O)O |
|
TCMBANKIN060980 |
caproic acid;capric acid;n-decanoic acid;NON |
|
C10H20O2 |
172.26 g/mol |
CCCCCCCCCC(=O)O |
|
TCMBANKIN060987 |
[10]-gingerol |
|
C21H34O4 |
350.49 g/mol |
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN061008 |
lauric acid,ethyl ester |
|
C14H28O2 |
228.37 g/mol |
CCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061013 |
Petroselic acid |
|
C18H34O2 |
282.5 g/mol |
CCCCCCCCCCCC=CCCCCC(=O)O |
|
TCMBANKIN061038 |
Gaidic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCCCCCCCCC=CC(=O)O |
|
TCMBANKIN061045 |
PENTADECYLIC ACID |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061080 |
octadecenoic acid;2-Octadecenoic acid;trans-2-oleic acid |
|
C18H34O2 |
282.5 g/mol |
CCCCCCCCCCCCCCCC=CC(=O)O |
|
TCMBANKIN061082 |
anacardic acid |
|
C22H36O3 |
348.52 |
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
|
TCMBANKIN061085 |
n-heptadecane;heptadecane;Heptadekan |
|
C17H36 |
240.5 g/mol |
CCCCCCCCCCCCCCCCC |
|
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061105 |
Eicosanoic acid |
|
C20H40O2 |
312.53 g/mol |
CCCCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061135 |
Hentriacontanol-6;6-hentriacontanol |
|
C31H64O |
452.8 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O |
|
TCMBANKIN061183 |
Decyl acetate |
|
C12H24O2 |
200.32 g/mol |
CCCCCCCCCCOC(=O)C |
|
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 |
|
TCMBANKIN061244 |
OXA |
|
C2H6O |
46.07 |
CCO |
|
TCMBANKIN061257 |
catalase |
|
C9H10O3 |
166.17 g/mol |
CCOC(=O)C1=CC=C(C=C1)O |
|
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 |
|
TCMBANKIN061272 |
9-Ethoxyaristololactam |
|
C19H15NO5 |
337.33 g/mol |
CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)N2)OCO5 |
|
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 |
|
TCMBANKIN061288 |
donasine |
|
C11H14N2 |
174.24 g/mol |
CN(C)CC1=CNC2=CC=CC=C21 |
|
TCMBANKIN061290 |
MeODMT;n,n-dimethyl-5-methoxy tryptamine |
|
C13H18N2O |
218.29 |
CN(C)CCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN061298 |
GoshuyuamideII |
|
C19H17N3O2 |
319.39 |
CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43 |
|
TCMBANKIN061309 |
(+/-)-Homochelidonine |
|
C21H23NO5 |
369.4 g/mol |
CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5 |
|
TCMBANKIN061320 |
cryptopine |
|
C21H23NO5 |
369.41 |
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC |
|
TCMBANKIN061324 |
d-reticuline |
(S)-(+)-reticuline; (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; CHEBI:16718; 485-19-8; (1S)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (+)-Reticuline; (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C02105;CHEBI:17428; AC1L99KR; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; AK552295; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; C05178; FT-0699770; MFCD28556897; ZINC901258; DTXSID80331501; L-Reticuline; CHEMBL401501; AKOS030242061; (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-Reticuline; (-)-reticuline; SCHEMBL9587509; NCGC00247617-01; 3968-19-2; (R)-Reticuline (>80% ee); CTK1C2641; (S)-Reticuline;reticuline;reticulin |
C19H23NO4 |
329.4 g/mol |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN061326 |
(R)-N-Methylcoclaurine |
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (1R)-; 1betaH-Coclaurine, 2-methyl-; 5096-70-8; AIDS-226940; (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (R)-; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; C05243; (-)-1(R)-N-Methylcoclaurine; AIDS226940; d-n-methyl coclaurine |
C18H21NO3 |
299.36 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN061330 |
Luteanin |
Artabotrin; Spectrum5_000378; BSPBio_000474; AIDS-138466; KBio2_004255; SPBio_000352; Prestwick1_000597; 545368_ALDRICH; KBio2_006823; Spectrum_001207; 6aalpha-Aporphin-11-ol, 1,2,10-trimethoxy- (8CI); KBio1_001557; BSPBio_002533; 1,2,10-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol; 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)- (9CI); KBio3_001753; Prestwick3_000597; KBio2_001687; d-Isocorydine; NSC645316; SBB005942; Prestwick2_000597; 5-21-06-00132 (Beilstein Handbook Reference); NCGC00016453-02; S-(+)-Isocorydine; Luteanine (VAN); KBioSS_001687; 6a-alpha-APORPHIN-11-OL, 1,2,10-TRIMETHOXY-; Isocorydine; Spectrum2_000566; ()-Isocorydine; SpecPlus_000517; SDCCGMLS-0066694.P001; BPBio1_000522; AIDS138466; CAS-475-67-2; Luteanine; BRN 0094792; Prestwick_281; Isocorydine (+); NSC 645316; KBioGR_001998; Prestwick0_000597; C09549; Artabotrine; TNP00260; L-(+)-Isocorydine; NSC 32979; Lindcarpine, N,O-dimethyl-; SPECTRUM1500860; DivK1c_006613; Aporphin-11-ol, 1,2,10-trimethoxy-; 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-; SPBio_002693; Spectrum4_001699; NCGC00016453-01; Spectrum3_000717; 475-67-2; Uzokoridin; NCGC00142508-01;isocorydine;AC1OCG6Z; (-)-tramadol(1+); FT-0675348; ZB000501; [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium; (S,S)-tramadol(1+); {[(1S,2S)-2-HYDROXY-2-(3-METHOXYPHENYL)CYCLOHEXYL]METHYL}DIMETHYLAZANIUM; [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium; CHEBI:75738 |
C20H23NO4 |
341.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
|
TCMBANKIN061331 |
Corydine |
4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (S)-; IDQUPXZJURZAGF-UHFFFAOYSA-N; 2,10,11-Trimethoxy-6a.alpha.-aporphin-1-ol; (+)-(S)-Corydine; MCULE-2539231400; STOCK1N-48890; DL-Corydine; NSC688261; (6Ars)-5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-1-ol; 2505-56-8; corydine; 1-Hydroxy-2,10,11-trimethoxy-6a.alpha.-aporphine; NP-011329; d-Corydine; AC1L390N; Glaucentrine; Glaucentrin; Corytuberine methyl ether; 5-21-06-00134 (Beilstein Handbook Reference); (S)-(+)-Corydine; NCGC00384558-01!2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol; 3,4,15-TRIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-16-OL; (+)-Corydine; 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-; AKOS016023672; CHEMBL2002847; NSC-688261; MolPort-001-742-663; O(sup 11)-Methylcorytuberine; O(11)-Methylcorytuberine; 6a-alpha-APORPHIN-1-OL, 2,10,11-TRIMETHOXY-; NCI60_031859; SCHEMBL11250050; BRN 0095568; 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (6aS)-; Corydine, (+/-)-; (+/-)-Corydine; 6a.alpha.-Aporphin-1-ol, 2,10,11-trimethoxy-; 2,10,11-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (S)- #; corydin(e); (+)-corydine |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC |
|
TCMBANKIN061333 |
Izoteolin |
Isoteolin; ST057702; 4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)-; 95508-61-5; TNP00331; C09541; NCGC00142559-01; Isoboldine; Isoteoline; 6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-; NCGC00017381-01; isoboldine |
C19H21NO4 |
327.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
|
TCMBANKIN061334 |
glaucine |
AC1LL50T; (R)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; 38325-02-9; ZINC792622; EINECS 253-881-0; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (R)-; FT-0698454; (?)-Glaucine; RUZIUYOSRDWYQF-OAHLLOKOSA-N; l-Glaucine; DTXSID70191691; (R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline; Glauvent ;(-)-glaucine; Bromcholitin; (+)-Glaucine; AIDS011385; GLAUCINE,(D); Glaucine; 6a.alpha.-Aporphine, 1,2,9,10-tetramethoxy-; NSC34396; S-(+)-Glaucine; C09446; Glaucine fumarate; BB_NC-0833; d-Glaucine; 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-; Boldine dimethyl ether; 475-81-0; AIDS-011385 |
C21H25NO4 |
355.43 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
|
TCMBANKIN061342 |
Nantenin |
2565-01-7; 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline; Domesticine, O-methyl-; Nantenine; InChI=1/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H; 6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-; Domestine; 4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-; o-Methyldomesticine; CCRIS 3807;o-methyl domesticine |
C20H21NO4 |
339.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC |
|
TCMBANKIN061352 |
longatin |
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; NSC121869; SMR000059119; (S,R)-Noscapine; C09592; STK054401; BSPBio_000346; 128-62-1; AIDS011873; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; Lopac0_000840; Tocris-1697; Noscapine (TN); alpha-Narcotine; .beta.-Narcotine; alpha-narcotine; EINECS 204-899-2; Noscapine [BAN:INN:JAN]; Coscopin (VAN); L-alpha-Narcotine; 4-27-00-06838 (Beilstein Handbook Reference); 1368-39-4; Lopac-N-9007; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl),(S-(R*,S*))-; L-alpha-Noscapine; CAS-128-62-1; BRN 0099933; BSPBio_002113; SDCCGMLS-0066644.P001; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,(S-(R*,S*))-; HSDB 3372; KBio2_004117; TNP00110; SPBio_001053; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; NCGC00017174-02; 567-86-2; KBio2_006685; Spectrum5_001276; (-)-alpha-Norcotine; NCGC00017174-01; KBioGR_000872; Spectrum2_000987; (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; Noscapinum [INN-Latin]; NCGC00015757-01; Spectrum_001069; KBio3_001613; ST055757; (-)-Narcotine; Spectrum3_000527; 8-Methoxyhydrastin; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; TNP00034; KBio2_001549; Spectrum4_000456; Longactin; 8057-19-0; Noscapina [INN-Spanish]; KBioSS_001549; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00016388-01; Narcotine (8CI); 8055-18-3; NCGC00023230-02; AIDS-011873; D01036; CBMicro_048259; SPBio_002565; BIM-0048054.P001; NCI60_004322; Prestwick1_000563; Prestwick3_000563; (-)-.alpha.-Narcotine; Prestwick_959; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; MLS000069475; 363960_ALDRICH; BPBio1_000382; Coscopin; Methoxyhydrastine; Prestwick0_000563; Prestwick2_000563; Noscapine (JP15/USP/INN); AC1NSW29; 5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6,9-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline; narcotine; Noscapine; gnoscopine; Noskapin; α-narcotine |
C22H23NO7 |
413.42 g/mol |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
|
TCMBANKIN061354 |
Fumarine |
C05189; TNP00339; 7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one; ST036759; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; HSCI1_000268; EINECS 204-999-6; AIDS-040935; Corydinine; 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one; Oprea1_722246; NCGC00142402-01; Biflorine; Macleyine; 130-86-9; NCGC00017389-01; 7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-; Alk-3; 6164-47-2 (HCL); Oprea1_718853; AIDS040935; 7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one; HSDB 3527; CHEBI:16415; AI3-62909; ACon1_001550; DTXSID00178935; Bis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; Bis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one,5,7,8,15-tetrahydro-6-methyl-; AC1L4H3I; CHEMBL486179; 14-METHYL-7,9,20,22-TETRAOXA-14-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(3)]TETRACOSA-1(24),4,6(10),11,17,19(23)-HEXAEN-2-ONE; CTK4F3162; MCULE-2865552640; BDBM50377937; 24240-05-9; AC1Q6P91; NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; C20H19NO5; protopine ; Pseudoprotopine; MolPort-028-610-216; 6-methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6h)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-; ZINC31502517; protopine |
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
|
TCMBANKIN061355 |
24240-05-9;pseudoprotopine |
|
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3 |
|
TCMBANKIN061359 |
C09367 |
PDSP2_000621; 298-45-3; CHEBI:3211; D04GRS; DTXSID20183940; AKOS000276822; 9126AF; 298-45-3; (S)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinolin-12-ol; O0TGI865QO; EINECS 206-061-1; Bulbocapnin; SCHEMBL678694; (S)-BULBOCAPNINE; ACM298453; AC1Q703Q; AC1L1ZLR; ZINC103; (7aS)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol; C09367; BG01614143; Buibocapnine hydrochloride; Bulbocapnine; PDSP2_000621; Bulbokaprin; 11-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinolin-12-ol (Bulbocapnine); CHEMBL157912; 6a-alpha-APORPHIN-11-OL, 10-METHOXY-1,2-(METHYLENEDIOXY)-; Ambap298-45-3; BDBM50016018; 632-47-3; UNII-O0TGI865QO; bulbocapnine |
C19H19NO4 |
325.4 g/mol |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
|
TCMBANKIN061365 |
Sinoacutine |
(-)-salutaridine; C05179; sinoacutine; (-)-Sinoacutine; 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one; 4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; SCHEMBL563455; 1369-69-3; (+-)-SALUTARIDINE; 7X10PRH74D; Salutaridine; 1936-18-1; 1005309-77-2; BDBM50378615; Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-; GVTRUVGBZQJVTF-YJYMSZOUSA-N; (+)-salutaridine; CHEBI:17225; 716342-86-8; CHEMBL404097; HSDB 8325; Sinoacutin; UNII-7X10PRH74D; 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; 17039-45-1; Floripavine |
C19H21NO4 |
327.37 |
CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
|
TCMBANKIN061371 |
nicotine |
36733_RIEDEL; 2yk1; CHEBI:59806; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; D03365; 54-11-5; NCGC00090693-03; 46343_RIEDEL; C00745; Nicotine; NCGC00090693-04; AIDS-156031; 65-31-6 (R,R-BITARTRATE); (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; Habitrol (TN); SBB012359; N5511_SIGMA; (−)-Nicotine; Nicotine (compounds related to); PDSP2_000555; NCT; N3876_SIGMA; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; NCGC00090693-01; ZB012057; (S)-(-)-nicotine; CHEBI:17688; SDCCGMLS-0066911.P001; (S)-nicotinium(1+); AC1OCG5J; 3-(2-(N-methylpyrrolidinyl))pyridine; NSC97238 (R,R-BITARTRATE SALT); 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine; (S)-nicotinium cation; AIDS156031; NCGC00090693-05; PDSP1_000465; PDSP1_000113; PDSP2_000463; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine (USP); 54-11-5 (FREE BASE); L(-)-nicotine; (−)-Nicotine solution |
C10H14N2 |
162.23 g/mol |
CN1CCCC1C2=CN=CC=C2 |
|
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 |
|
TCMBANKIN061377 |
Goshuyuamide I |
AC1NSW2R; (2-methylaminophenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; [2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; (2-methylaminophenyl)-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)methanone; goshuyuamide i |
C19H19N3O |
305.41 |
CNC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34 |
|
TCMBANKIN061378 |
n-(2-methulaminobenzoyl)tryfamine |
N-(2-Methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-methylamino-benzamide; N-[2-(1H-indol-3-yl)ethyl]-2-methylaminobenzamide; n-(2-methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide; AC1NSY7J |
|
293.4 |
CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32 |
|
TCMBANKIN061381 |
colchamine |
MolPort-002-507-437; AK326020; CAS-477-30-5; BRN 2822892; Demecolcine; N-Desacetyl-N-methylcolchicine; LS-7285; CHEBI:4393; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-5,6,7-trihydrobenzo[a]heptalen-9-on e; V0182; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i; Colcemid™ EUO masculine; AC1L58QT; CCRIS 2764; CC-26333; SMR000058249; ACM477305; 477D305; Colcemid, N-methyl-N-deacetyl-colchicine; (-)-Colchamine; 6,2,3,10-tetramethoxy-7-(methylamino)-benzo[.alpha.]heptalen-9(5H)-one; CTK5B3083; Colchicine, N-deacetyl-N-methyl-; HMS2230L17; DTXSID7020342; MLS002695919; (S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; NSC-3096; Substance F; Kolchamin; DSSTox_RID_75525; Colcemide; CHEMBL312862; N-Deacetyl-N-methylcolchicine solution; MFCD00075459; Reichstein's F; Desacetylmethylcolchicine; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine); Kolchicin; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; MCULE-5448914877; Kolkamin; Colchicine, 7-deacetamido-7-(methylamino)-; Methylcolchicine; Demecolcine [INN:BAN:DCF]; DSSTox_CID_342; cid_220401; NSC 3096; Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NSC3096; MLS001332502; (-)-Demecolcine; Deacetyl-N-methylcolchicine; X 153; Colchamine; Desmecolcine; NCGC00166035-02; Demecolcine, >=98% (HPLC); FT-0603112; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; KS-5002; C21H25NO5; UNII-Z01IVE25KI; Colchicine, deacetyl-N-methyl-; Omaine; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(a)heptalen-9(5H)-one; Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NNJPGOLRFBJNIW-HNNXBMFYSA-N; NSC-403147; Colchine, N-deacetyl-N-methyl; C-12669; NCGC00166035-01; Demecolcine solution, 10 mug/mL in HBSS, ACF Qualified, BioXtra; Demecolcina [INN-Spanish]; EINECS 207-514-6; N-Methyl-N-deacetylcolchicine; SR-01000841244; NSC403147; BG00711418; colcemid; Demicolcine; (7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; BDBM50014872; Alkaloid H 3, from colchicum antumnale; Tox21_112296; API0002097; SCHEMBL8161; (S)-6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)benzo[a]heptalen-9(5H)-one; A827317; 477-30-5; WLN: L B677 MV&T&J CO1 DO1 EO1 JM1 NO1; C-21160; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i EUO masculine; Desmecolchine; Alkaloid H 3; DSSTox_GSID_20342; Colchamin; BRD-K38624570-001-10-7; Santavy's substance F; Demecolcinum [INN-Latin]; SR-01000841244-3; Demecolcinum; Omain; Demecolcina; MLS001332501; Kolchicin [Czech]; 6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methylamino) Benzo (alpha) Heptalen-9(5H)-one; BCBcMAP01_000022; Deacetylmethylcolchicine; Ciba 12669A; Ciba 12669 A; Isoquinoline,3,4-dihydro-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-; AKOS002141248; Demecolcine, Hybri-Max(TM), powder, gamma-irradiated, hybridoma tested; 1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one #; Z01IVE25KI; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one; AC1Q698C; Demecolcin; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one; ZINC3872132; AB0019718; (S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; ST057181; BB_NC-1469; N-Deacetyl-N-methylcolchicine; SMP1_000076; Demecolcine, >=98.0% (sum of enantiomers, HPLC); N-Methyl-N-desacetylcolchicine; N-Desacetylmethylcolchicine |
C21H25NO5 |
371.4 g/mol |
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
|
TCMBANKIN061386 |
Oxynarcotine |
2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid; AC1NSZCW; SCHEMBL11790808; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]-1-oxoethyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]ethanoyl]benzoic acid; Nornarceine; 2,3-dimethoxy-6-[2-[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]benzoic acid; oxynarcotine; nornarceine |
C22H25NO8 |
431.44 g/mol |
CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
|
TCMBANKIN061388 |
methylether |
Methoxymethane; CHEBI:28887; Methane, oxybis-; EINECS 204-065-8; Methyl ether; Oxybismethane; (CH3)2O; HSDB 354; Dimethyl ether [UN1033] [Flammable gas]; c0147; C11144; InChI=1/C2H6O/c1-3-2/h1-2H; Wood ether; Dimehtylether; Dimethyl oxide; 115-10-6; Demeon D; 157621-61-9; Methyl oxide; Dimethyl ether; UN1033; 295299_ALDRICH; Ether, methyl; Ether, dimethyl; CH3-O-CH3;Dymel A |
C2H6O |
46.07 g/mol |
COC |
|
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 |
|
TCMBANKIN061416 |
1-methoxycarbonyl-beta-carboline |
Carboline-1-carboxylic acid, methyl ester; Methyl 9H-pyrido(3,4-b)indole-1-carboxylate; methyl 9H-pyrido[3,4-b]indole-1-carboxylate; 1-Carbomethoxy-beta-carboline; 9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester; 9H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester; 3464-66-2; 9H-$b-carboline-1-carboxylic acid methyl ester; 9H-Pyrido(3,4-b)indole-1-carboxylic acid, methyl ester; Kumujan B; 1-carbomethoxy-beta-carboline |
C13H10N2O2 |
226.23g/mol |
COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
|
TCMBANKIN061437 |
Mucronulatol |
(3S)-mucronulatol;mucronulatol; 20878-97-1; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-7-chromanol; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)chroman-7-ol; C10507; (3S)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-ol |
C17H18O5 |
302.32 |
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O |
|
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 |
|
TCMBANKIN061447 |
cirsimaritin |
Skrofulein;7-Methylcapillarisin;C17785; MolPort-000-779-119; 6601-62-3; W1605; Flavone, 4',5-dihydroxy-6,7-dimethoxy-; cirsimaritin ; DTXSID00216220; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; 5,4''-Dihydroxy-6,7-dimethoxyflavone; SMR000440660; AC1L4MLD; AC1Q6AIG; D06NRZ; Cirsimaritin; 4CN-1595; CHEMBL348436; 6-Methoxygenkwanin; CTK2F4258; CHEBI:81337; LMPK12111163; Skrofulein; AKOS030556306; NCGC00169297-01; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one; cirsimartin; 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one #; SCHEMBL1663486; cid_188323; ZINC1081537; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-; NP-001331; 4',5-Dihydroxy-6,7-dimethoxyflavone; BRD-K58305393-001-01-2; PubChem SID: 26725076; MEGxp0_000498; 5-Hydroxy-2-(4-hydroxy-phenyl)-6,7-dimethoxy-chromen-4-one; 6,7-Dimethoxyscutellarein; ZIIAJIWLQUVGHB-UHFFFAOYSA-N; MCULE-1790924522; ACon1_000850; AK587011; Scrophulein; BDBM50049394; HMS2271M05; Cirsimaritin, >=90% (LC/MS-ELSD); 7-Methylcapillarisin; LS-193899; MLS000876998;5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-chromen-4-one; 7-methylcapillarisin; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenoxy)-6,7-dimethoxy-chromone;MLS000876998; 6601-62-3; Cirsimaritin; MEGxp0_000498; Flavone, 4',5-dihydroxy-6,7-dimethoxy-; ACon1_000850; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromone; SMR000440660; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one; ZINC01081537; 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-chromenone; 4',5-Dihydroxy-6,7-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy- |
C17H14O6 |
314.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN061448 |
7-methoxybaicalein |
5,6-dihydroxy-7-methoxy-2-phenyl-chromen-4-one; 4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-phenyl-; ZINC00039288; Baicalein-7-methylether; AIDS071771; ST055981; 5,6-dihydroxy-7-methoxy-2-phenyl-chromone; 29550-13-8; 5,6-dihydroxy-7-methoxy-2-phenyl-4-chromenone; AIDS-071771; 5,6-Dihydroxy-7-methoxy-2-phenyl-4H-chromen-4-one; 7-Methoxybaicalein; 5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one; Negletein |
C16H12O5 |
284.26 |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O |
|
TCMBANKIN061449 |
5-hydroxy-6,7-dimethoxy flavone;Mosloflavone |
5-hydroxy-6,7-dimethoxyflavone;4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-phenyl-; ACon1_000627; AIDS-071775; 5-Hydroxy-6,7-dimethoxyflavone; AIDS071775; MEGxp0_001406; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromone; 5-hydroxy-6,7-dimethoxy-2-phenyl-4-chromenone; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromen-4-one; 740-33-0; 5-hydroxy-6,7-dimethoxy-2-phenylchromen-4-one |
C17H14O5 |
298.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)OC |
|
TCMBANKIN061453 |
31098-60-9 |
mecambridine;(-)-mecambridine;27341-28-2; 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)- |
C22H25NO6 |
399.44 |
COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC |
|
TCMBANKIN061463 |
arcapillin |
areapillin;2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromone; AIDS104951; Arcapillin; Areapillin; 83162-82-7; 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-; AIDS-104951; 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; 2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one |
C18H16O8 |
360.31 g/mol |
COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O |
|
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 |
|
TCMBANKIN061474 |
3, 4-dimethoxybenzaldehyde |
DSSTox_CID_6285; Verapamil Impurity G; 4,3-dimethoxybenzaldehyde; D0507; RTC-010113; BBL010373; SBB040236; AH-034/32845024; F2190-0618; Benzaldehyde, 3,4-dimethoxy-; 3,4-dimethoxybenzaldehyde (veratraldehyde); FT-0600118; FEMA 3109; AC1Q4FDU; LS-628; BC622797; Veratrumaldehyde; 107052-EP2374783A1; BR-46721; 3,4-DIMETHOXYBENZALDEHHYDE; ACN-051072; NCGC00091642-02; Vanillin methyl ether; 3,4-Dimethoxybenzenecarbonal; AM20050100; Protocatechuecaldehyde dimethyl ether; ST45169641; 3,4-Dimethoxybenzaldehyde, 99%; VERATRALDEHYDE; p-Veratric aldehyde; AB1000043; TIMTEC-BB SBB040236; DSSTox_GSID_26285; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; ACT06905; LABOTEST-BB LT00235863; I01-2283; Protocatechualdehyde dimethyl ether; OTAVA-BB 1180632; VERATRYLALDEHYDE; CTK0H5284; PubChem8238; KB-28345; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 107052-EP2295423A1; ANW-17460; ZB006061; NSC-8500; AC1Q46T0; WLN: VHR CO1 DO1; DTXSID7026285; AS-11996; Veratrum aldehyde; 3,4-Dimethoxy benzaldehyde; CHEMBL1088937; MFCD00003363; Tox21_201566; STK188425; 4CN-0811; TL806334; DSSTox_RID_78087; 3,4-dimethoxybenzaldeyde; NCGC00257217-01; Benzaldehyde, 3,4-dimethoxy-veratraldehyde; 3,4-Dimethoxybenzaldehyde (Verapamil Related Compound E - USP), Pharmaceutical Secondary Standard; Certified Reference Material; KSC175E8J; BB_NC-2052; Vanillin methyl ether; Veratraldehyde; AC1L1QYK; NSC 24521; 3,4dimethoxybenzaldehyde; NSC24521; NCGC00259115-01; AKOS000118989; Benzaldehyde,4-dimethoxy-; 4-O-Methylvanillin; AI3-08099; Veratric aldehyde; 3,4-dimethoxybenzaidehyde; 107052-EP2377841A1; CM13990; RP22905; UI88P68JZD; AKOS BBS-00003208; SCHEMBL25202; TC-010113; bmse010220; LABOTEST-BB LT03331050; MolPort-000-871-214; WJUFSDZVCOTFON-UHFFFAOYSA-N; Methylvanillin; AS02987; NSC8500; ST2410267; UNII-UI88P68JZD; BRN 0473899; 107052-EP2298744A2; AN-22815; KS-00000AZ9; MCULE-1202068347; 120-14-9; NE10275; NSC-24521; TRA0003531; 4,5-dimethoxybenzaldehyde; AC-10201; 3,4-DIMETHOXY-BENZALDEHYDE; C02201; CAS-120-14-9; DB-014213; 3,4-Dimethoxybenzaldehyde; CHEBI:17098; NCGC00091642-01; 3, 4-Dimethoxybenzaldehyde; AJ-13584; 3,4 dimethoxybenzaldehyde; FEMA No. 3109; Veratral; CJ-01437; Veratraldehyde, >=98%, FG; ACMC-209a6e; NCGC00091642-03; AK-46721; Tox21_303074; W-108485; ZINC155456; CS-W019906; SC-00570; Verapamil Related Compound E, United States Pharmacopeia (USP) Reference Standard; EINECS 204-373-2; Veratryl aldehyde; ST5213394; AH-034/32845024; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 3,4-Dimethoxybenzaldehyde; Benzaldehyde, 3,4-dimethoxy-; 94860_FLUKA; CHEBI:17098; WLN: VHR CO1 DO1; C02201; NCGC00091642-01; Veratrum aldehyde; NCGC00091642-02; Vanillin methyl ether; Methylvanillin; FEMA No. 3109; 3,4-Dimethoxybenzenecarbonal; Protocatechuecaldehyde dimethyl ether; W310905_ALDRICH; NSC8500; ZINC00155456; p-Veratric aldehyde; BRN 0473899; Veratraldehyde; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; 120-14-9; NSC24521; NSC 24521; 4-O-Methylvanillin; 4-08-00-01765 (Beilstein Handbook Reference); AI3-08099; 143758_ALDRICH; Protocatechualdehyde dimethyl ether; Veratric aldehyde; EINECS 204-373-2; 3,4-DIMETHOXY-BENZALDEHYDE; Veratryl aldehyde; veratraldehyde; methylvanillin; Veratral |
C9H10O3 |
166.17 g/mol |
COC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN061476 |
EUPATIN |
flavonoid;3,5,3'-Trihydroxy-6,7,4'-trimethoxy flavone; eupatin; AIDS012219; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromone; 3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one; 19587-65-6; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-; NSC122412; Flavone, 3,3',5-trihydroxy-4',6,7-trimethoxy-; Veronicafolin; 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-chromenone; 3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; Flavonoid K; AIDS-012219; NSC 122412 |
C18H16O8 |
360.31 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O |
|
TCMBANKIN061478 |
artemisetin |
UNII-73KMT7R64H; Penta-O-methylquercetagetin; Flavone, 5-hydroxy-3,3',4',6,7-pentamethoxy-; MEGxp0_002022; 5'-Hydroxy-3,3',4',6,7-pentamethoxyflavone; ACon1_000985; BRD-K39946608-001-01-8; ARTEMISETIN(P); 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; CHEMBL225700; LMPK12113017; RIGYMJVFEJNCKD-UHFFFAOYSA-N; 3,6,7,3',4'-pentamethylquercetagetin; NCGC00169786-01; AKOS032948424; ZINC5733763; 5-Hydroxy-3,3',4',6,7-pentamethoxyflavone; 479-90-3; Quercetagetin 3,6,7,3',4'-pentamethyl ether; 5-hydroxy-3,3',4',6,7-pentamethoxy-flavone; Artemisetin; SCHEMBL2122576; Artemetin; AC1NSZD5; DTXSID20197325; Quercetagetin-3,6,7,3',4'-pentamethylether; W1655; MolPort-001-742-702; 4CN-1415; BG01675906; 5-Hydroxy-3,6,7,3',4'-pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one; Erianthin; 73KMT7R64H; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one #; artemetin |
C20H20O8 |
388.4 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC |
|
TCMBANKIN061479 |
tamarixetin |
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; FPLMIPQZHHQWHN-UHFFFAOYSA-N; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-3,3',5,7-tetrahydroxyflavone; 4'-methoxy-3,5,7,3'-tetrahydroflavone; 4'-O-Methyl Quercetin; D06PZE; CC-34633; tamarixetin ; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); CHEBI:67492; Tamaraxetin; W2755; SCHEMBL892776; 4'-O-Methylquercetin; 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; Tamarixetin; Quercetin-4'-methylether; BDBM50325674; 4'-Methoxyquercetin; quercetin 4'-methyl ether; C-19473; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 603-61-2; MolPort-001-741-910; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; FT-0603487; AKOS024287252; UNII-73WRA8Z8M8; ZINC6484604; C10188; ST5331691; 73WRA8Z8M8; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; AC1NQYX7; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; MFCD00017308; 3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside; LMPK12110606; MCULE-8124433804; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; DTXSID00209056; Quercetin 4'-methyl ether; ST50331691; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 3-O-rhamnopyranosyl-1-2-glucopyranoside; CHEMBL226034; 4'- methoxy- 3,3',5,7- tetrahydroxy flavone |
C16H12O7 |
316.26 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061486 |
5-hydroxy-3',4',6,7-tetramethoxyflavone |
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromone; AIDS218321; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; AIDS-218321; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; HTMF; 5-hydroxy-3′,4′,6,7-tetramethoxyflavone; 5-hydroxy-6,7,3',4'-tetramethoxyflavone; 5-hydroxy-6,7,3 ', 4'-tetramethoxy flavone; AC1L48C3; 57296-14-7; 3'-O-methyl-eupatorin; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; BDBM50092614; DTXSID50176163; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 3,5-dihydroxy-6,7,3',4'-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromen-4-one; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-; AK583634; QEWSAPKRFOFQIU-UHFFFAOYSA-N; HTMF; SCHEMBL3131502; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; CTK4E7643; 5-hydroxy-6,7-dimethoxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4-chromenone; CHEMBL226508; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one; LMPK12111243; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromone; AKOS030553584; Belamcanidin; 6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one #; 5-demethylsinensetin; belamcanidin; 3,5-Dihydroxy-6,7,3',4'-tetramethoxyflavone; belamcadin |
C19H18O7 |
358.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
|
TCMBANKIN061487 |
5,6,7,3,4-pentamethoxyflavone |
Sinensetin; API0004181; Pedalitin permethyl ether; SR-05000002257-3; A816546; BC282855; KB-221448; 5,6,7,3',4'-Pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4-chromenone; Flavone, 5,6,7,3',4'-pentamethoxy; AKOS016009570; N2560; 240LNZ51AT; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one #; CS-5907; FT-0634191; DTXSID60177626; ST24039240; C10186; NCGC00163623-01; SR-05000002257; 3'',4'',5,6,7-pentamethoxy flavone; sinensetin; CCG-208419; CHEMBL226507; AN-50682; DB-046067; C-57750; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one; HY-N0297; 27181-91-5; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one; MEGxp0_000957; CHEBI:9159; CJ-24105; ZINC1531698; ST5331679; X1234; UNII-240LNZ51AT; SR-05000002257-2; BRD-K84996949-001-01-5; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one; MolPort-001-741-112; 3',4',5,6,7-Pentamethoxyflavone; VA11761; BDBM50338975; AJ-26732; MFCD00017421; AK111262; 306S276; KB-221449; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one; LKMNXYDUQXAUCZ-UHFFFAOYSA-N; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-; AC1L3RN3; 2306-27-6; 5,6,7,3'',4'' -pentamethoxyflavone; SCHEMBL621101; LMPK12111250; TR-010778; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromone; CTK4F9237; ST50331679 |
C20H20O7 |
372.37 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
|
TCMBANKIN061491 |
luteolin- 3',4',7-trimethyl ether |
5-hydroxy-7,3',4'-trimethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-chromenone; AIDS-218320; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one; AIDS218320; 29080-58-8; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one; 5-hydroxy-7,3 ', 4'-trimethoxy flavone |
C18H16O6 |
328.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
|
TCMBANKIN061494 |
nobiletin |
Spectrum4_001020; 38664-96-9; 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone; CHEBI:28819; UNII-N7TD9J649B; MCULE-5348711723; SDCCGMLS-0066776.P001; N7TD9J649B; cid_442428; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon; EINECS 233-566-4; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringenin 7-Rhamnoglucoside; 30552-25-1; BSPBio_000574; NCGC00142617-03; MEGxp0_000930; HMS2231M18; J10148; GTPL4738; CS-5632; BDBM50241582; NCGC00142617-02; CCG-208591; 10236-47-2; 7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; AIDS-003056; HY-N0153; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox; MLS000574877; 30174-44-8; NCI60_041691; Naringenine-7-rhamnosidoglucoside; NSC618903; Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside; DTXSID6022478; STOCK1N-40898; ACon1_000139; (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; N2371; AIDS003056; naringin; Prestwick2_000467; MolPort-001-742-592; (2S)-Naringin; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone; 5,6,7,8,3',4'-Hexamethoxyflavone; Flavone, 5,6,7,8,3',4'-hexamethoxy; DFPMSGMNTNDNHN-ZPHOTFPESA-N; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Spectrum2_001697; 17784-35-9; KBio3_001922; SPBio_002513; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-; Nobiletin; Spectrum3_000921; ACon1_000921; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; IDI1_000247; Prestwick0_000467; BIDD:ER0262; NSC 76751; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl); s2329; naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside); NCGC00142617-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI); MFCD00148888; BG00878320; ZINC8143604; Naringin (Naringoside); Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2; Prestwick3_000467; 10236-69-8; BRD-K02953697-002-03-3; cid_25075; SR-01000736681; NINDS_000247; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; SR-01000736681-4; MLS000877030; MLS000759462; SPECTRUM1505268; 478-01-3; ST072162; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; AS-12929; 11032-31-8; C10112; CHEMBL451532; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringin hydrate; 236N472; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-; KBioGR_001519; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; DivK1c_000247; Naringenin 7-O-neohesperidoside; CC-32461; 4'5-diOH-Flavone-7-rhgluc; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SCHEMBL23432; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; MLS000069459; HMS500M09; Naringenin-7-beta-neohesperidoside; (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Prestwick1_000467; AKOS016034302; AI3-19008; NCGC00095703-01; Naringoside; aurantiin; C09789; Hexamethoxyflavone; SMR000156231; 109010-50-6; KBio1_000247; AC1L9CSZ; yphenyl)chroman-4-one; ZINC01531669; Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]; MEGxp0_001877; C27H32O14; NSC76751; SPBio_001654; SR-01000736681-5; C-23277; BPBio1_000632;5,6,7,8,3',4'-hexamethoxyflavone |
C21H22O8 |
402.4 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
|
TCMBANKIN061495 |
Tetramethoxyluteolin |
ZINC01081533; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromone; 5,7,3',4'-Tetramethylluteolin; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one; 855-97-0; Luteolin tetramethylether; 3',4',5,7-Tetramethyl-luteolin; ST5309218; 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromen-4-one; 3',4',5,7-Tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-chromenone |
C19H18O6 |
342.34g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC |
|
TCMBANKIN061499 |
odoratin |
ZINC14759160; NCGC00385697-01!7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one; BDBM50441625; 53948-00-8; 3',7-dihydroxy-4',6-dimethoxyisoflavone; CHEMBL469824; MCULE-3526258136; LMPK12050113; Odoratin; SCHEMBL1248967 |
C19H20O6 |
344.36 |
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O |
|
TCMBANKIN061502 |
ACon1_001697 |
4-[(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]-2-methoxyphenol; 4-[(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]-2-methoxy-phenol; MEGxp0_000528 |
C27H34O11 |
534.55 |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC |
|
TCMBANKIN061521 |
Scutevulin |
80713-32-2; 2',5,7-Trihydroxy-8-methoxyflavone; SCHEMBL5162875; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromen-4-one; scutevulin; CHEMBL2235250; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-chromenone; 5,7,2'-trihydroxy-8-methoxyflavone; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxychromen-4-one; LMPK12111303; AC1NT0AX; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromone |
C16H12O6 |
300.26 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)O |
|
TCMBANKIN061526 |
Thymelol;daphnoretin |
ZINC00689683; TNP00178; Oprea1_038414; NCGC00142383-01; 2034-69-7; NCGC00017271-01; AIDS-071129; 7-hydroxy-3-(2-ketochromen-7-yl)oxy-6-methoxy-coumarin; C09216; 7-hydroxy-6-methoxy-3-[(2-oxo-7-chromenyl)oxy]-2-chromenone; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxy-chromen-2-one; Daphnoretin; TimTec1_001767; NSC 291852; MLS001048954; MLS000728531; ST024716; BRN 1299325; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-((2-oxo-2H-1-benzopyran-7-yl)oxy)-;7-hydroxyl-6-methoxy-3,7'-dicoumaryl ether; daphnoretin (9CI); 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-((2-oxo-2H-1-benzopyran-7-yl)oxy)-; SMR000156224; AIDS071129; MLS000574856; NSC291852; 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one; COUMARIN, 7-HYDROXY-6-METHOXY-3,7'-OXYDI- |
C19H12O7 |
352.29 |
COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O |
|
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
|
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 |
|
TCMBANKIN061545 |
Stevein |
6-hydroxy-4-(3-hydroxyphenyl)-7-methoxychromen-2-one; stevein; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxycoumarin; Stevenin; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-coumarin; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2-chromenone; LMPK12100009; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2H-chromen-2-one; 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-chromen-2-one; 36286-69-8; AC1NT0KP; stevenin |
C16H12O5 |
284.26 g/mol |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O |
|
TCMBANKIN061546 |
(+)-cyclo-olivil |
(+)-Cycloolivil;cycloolivil;(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxytetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol; ACon1_001444; MEGxp0_001281; (+)-cycloolivil; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol |
C20H24O7 |
376.4 g/mol |
COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061547 |
(+)-isolariciresinol;(2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-6-ol;isolariciresinol |
26568-14-9; (6R,7R,8S)-8-(4-hydroxy-3-methoxy-phenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; 47477-27-0; (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; (2R,3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-6-tetralinol; 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S-(1alpha,2beta,3alpha))-; 548-29-8; Arbo 3; 1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol; (2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol |
C20H24O6 |
360.4 |
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061550 |
Machiline |
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline; (1R)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; D-Coclaurine; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1R)-; AIDS226939; CHEBI:27482; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol; (+)-1(R)-Coclaurine; (R)-Coclaurine; (+)-Coclaurine; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-, (R)-; AIDS-226939; 2196-60-3; C06349; d-coclaurine |
C17H19NO3 |
285.34 g/mol |
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
|
TCMBANKIN061552 |
Isoscopoletin;6-Hydroxy-7-methoxy-2H-chromen-2-one;6-hydroxy-7-methoxy coumarin;6-hydroxy-7-methylcoumarin |
6-Hydroxy-7-methoxy-2-benzopyrone; isoscopoletin ; 6-hydroxy-7-methoxychromen-2-one; Esculetin 7-methyl ether; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 776-86-3; 6-hydroxy-7-methoxy-chromen-2-one; 7-Methyl esculetin; ST5331501; isoscopoletin; 6-hydroxy-7-methoxy-coumarin; NCGC00163577-01; AIDS026314; 6-Hydroxy-7-methoxycoumarin; 17795_FLUKA; AIDS-026314; EINECS 212-282-4; 7-Methoxyesculetin; 6-hydroxy-7-methoxy-2-chromenone |
C10H8O4 |
192.17g/mol |
COC1=C(C=C2C=CC(=O)OC2=C1)O |
|
TCMBANKIN061555 |
l-SPD |
(-)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; GTPL8370; 0UPX3E69W8; Q-100198; KB-211381; (13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol; 16562-13-3; l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine; stepholidine; AJ-80945; ST24036048; 6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI); FT-0628017; CS-1253; (S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol; DIB014; BDBM50378584; AK-60162; S-Stepholidine; UNII-0UPX3E69W8; D0L7OM; 3,9-Dimethoxy-13a-alpha-berbine-2,10-diol; 13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-; ANW-61130; A-Berbine-2,10-diol; X1178; BG01616132; AX8032195; 3,9-Dimethoxy-13a; ZINC22066528; CTK8B8727; L-(S)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; SCHEMBL10001966; W-5088; CHEMBL487387; (-)-Stepholidine; HY-17415; 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-; l-Stepholidine; MolPort-020-005-719; AC1OCEV4; TR-007130; l-SPD |
C19H21NO4 |
327.37 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O |
|
TCMBANKIN061558 |
laurolitsine |
(+)-Norboldine; CHEMBL487388; AC1L2JVN; 568-39-8; LS-97013; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine; Laurolistine; [(+)-norboldine]; MFCD06809897; UNII-5MT88IS14F; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 890L186; (S)-1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; API0008028; Norboldine; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; DTXSID30207641; C16984; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 5MT88IS14F; D09GXL; BDBM50292446; (9S)-4,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAENE-5,15-DIOL; CHEBI:66557; ZINC2559362; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; Norboldine; 1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; AIDS161652; 4H-dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; AIDS-161652; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; norboldine; InChI=1/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H; 568-39-8 |
C18H19NO4 |
313.3 g/mol |
COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O |
|
TCMBANKIN061560 |
3-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-1-propanone |
Propiophenone, 3,4'-dihydroxy-3'-methoxy-; 2196-18-1; 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-; 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one; 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one; ω-Hydroxypropioguaiacone, beta-Hydroxypropiovanillone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one |
C10H12O4 |
196.2 g/mol |
COC1=C(C=CC(=C1)C(=O)CCO)O |
|
TCMBANKIN061569 |
1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one |
(1E,4E)-1,5-bis-(4-Hidroxy-3-methoxyphenyl)-1,4-pentadien-3-one; 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pen-tadien-3-one |
C19H18O5 |
326.3 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061570 |
curcumin |
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; C10443; BSPBio_003590; NCGC00095321-01; Curcumin; KBio3_003004; InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13; curcumin ; diferuloylmethane; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; Kacha haldi; (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; ZINC00899824; 458-37-7; SDCCGMLS-0066836.P001; SCHEMBL2622435; Spectrum3_001990; DivK1c_006683; KBio1_001627; SpecPlus_000587; SPBio_001728; Spectrum2_001714; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; NSC32982; Turmeric oleoresin (79%-85% curcumin); Yellow Root; Halad; Diferaloylmethane; kachs haldi; safra d'inde; Curcumin, 95% (total curcuminoid content), from Turmeric rhizome; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; GTPL7000; Turmeric, oleoresin; CI 75300; MFCD00008365; curcuma longa l. root oil hydrodistilled; DSSTox_CID_1421; NSC-687842; C21H20O6; Merita earth; NCGC00017159-11; 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; NCGC00017159-06; I06-2497; BDBM50140172; I14-19358; MLS001148449; LS-125; NCGC00023332-04; SCHEMBL8441; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; BIDD:ER0479; 458-37-7; Turmeric root oil; Tox21_111505; BDBM50067040; 1790-EP2308861A1; Safran d'Inde; Turmeric oil (Curcuma longa L.); NSC 687842; Tumeric yellow; NCGC00017159-05; Curcuma oil; (1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione; 2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-; EINECS 207-280-5; 15845-47-3; E 100; Curcuma longa l. oleoresin; Curcuma longa l. root oleoresin; SR-01000000149-2; NCGC00017159-10; D0H8LC; HMS3649K06; Turmeric oleoresin; Orange Root; Curcumin (Natural); Indian saffron; Curcumin, United States Pharmacopeia (USP) Reference Standard; NCGC00017159-07; CCG-36107; Curcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatization; 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcurmin; 1,5-Di(vanillyliden)acetylaceton; I06-0010; Natural yellow 3; SMR000058237; cid_969516; Zlut prirodni 3; CHEMBL140; CAS-458-37-7; Curcumin, analytical standard; BG0601; ZX-AT003872; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #; BCP9000557; Yellow puccoon; Tumeric oleoresin; DB11672; 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione; BG00706978; NSC687842; AC1LJ6T6; SCHEMBL8440; SR-01000000149; Tox21_201116; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; J10108; C.I. Natural Yellow 3; (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcumin (synthetic); BIC8500; NCGC00017159-09; CCRIS 5804; NCGC00023332-05; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; W-5038; 1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-3; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-; FEMA No. 3086; 1790-EP2305629A1; BB_NC-01422; BC678109; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-; WLN: 1OR BQ E1U1V1V1U1R DQ CO1; Yellow Ginger; Diferuloylmethane; BRN 2306965; Bio-0677; AC1Q46A0; 98% curcurmin); cid_5281767; ZINC899824; Oils, galangal; 33171-04-9; (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; curcuma longa l. root oil CO2 extract; Gelbwurz; OR24598; Oil of turmeric; Curcuma oil (Curcuma longa); MLS000069631; 1,5-Divanillyliden-2,4-pentandion; BDBM29532; 1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione; UNII-IT942ZTH98; Yellow, Turmeric; BCP0726000035; Tox21_110803; KB-251224; CU-01000001305-2; Turmeric oil; HMS2233K04; D07SDQ; ST055629; Curcumin, primary pharmaceutical reference standard; CCG-36020; BRD-K07572174-001-19-6; MolPort-001-763-682; DSSTox_GSID_31077; DSSTox_RID_78861; Turmeric; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; NSC-32982; Kacha haldi; HY-N0005; Kurkumin [Czech]; Haldar; PREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J)); (1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; Turmeric (>98% curcurmin); GP8291; M212; Zlut prirodni 3 [Czech]; VFLDPWHFBUODDF-FCXRPNKRSA-N; LS-2189; Turmeric yellow; Turmeric extract (Curcuma longa L.); Curcumin; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; TR-032605; Curcuma longa l. root oil; FEMA No. 3085; curouma; Tu rmeric root oil; Opera_ID_1627; AC-24238; 73729-23-4; Halud; 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; RTR-032605; Yo-Kin; NCGC00023332-03; trans,trans-Curcumin; Curcuma longa l. oil; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-; IT942ZTH98; (E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; diferuloylmethan; cMAP_000052; N1839; 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; BG01656528; Curcuma; CCRIS 3257; Diferulylmethane; Curcumin, >=94% (curcuminoid content), >=80% (Curcumin); NCGC00017159-04; SC-17381; BRD-K07572174-001-22-0; turmeric root oil hydrodistilled; Oils, curcuma; 458C377; Hydrastis; AK316302; Haldar, Souchet; Natural Yellow3; 4-08-00-03697 (Beilstein Handbook Reference); E 100 (Dye); 1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; CS-1490; Indian turmeric; (1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione); Kurkumin; Curcumin I; Souchet; (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; HSDB 4334; Haidr; NCI-C61325; BBL027711; Golden seal; SCHEMBL13521974; CC0179; 1,3-Di(3-methoxy-4-hydroxystyryl)propanedial; Terra Merita; NCGC00258668-01; SBB006495; Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC); STL371943; AN-23454; CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J)); 8024-37-1; Curcuma longa oils; 91884-86-5; AKOS001305497; BRD-K07572174-001-02-2; Turmeric extract; TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7)); CI Natural Yellow 3; Cucurmin; CHEBI:3962; DTXSID8031077; DB-002681; Curcumine; Turmeric root oleoresin; curcumin; turmeric root oil CO2 extract; Curcumin, from Curcuma longa (Turmeric), powder; NCGC00017159-12; 79257-48-0; C.I. 75300; 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione; NSC 32982; SR-01000000149-5, curcumine;curcumin |
IC21H20O6 |
368.4 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061571 |
curcumin ii |
demethoxycurrcumin;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; p-hydroxycinnamoylferuloylmethane; demethoxy-curcumin; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; demethoxycurrcumin; AK544533; MFCD03427310; SCHEMBL13521973;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; demethoxy curcumin; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; AIDS110025; demethoxy-curcumin; (1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; 1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; AIDS-110025; AK544533; MFCD03427310; SCHEMBL13521973;demethoxycurcumin |
C20H18O5 |
338.35 |
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O |
|
TCMBANKIN061572 |
Calebin-A |
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester; InChI=1/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6; [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid 4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl ester; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester; 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-butenyl ester, (2E)-; [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 4''-(3'''-Methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl-3-(3'-methoxy-4'-hydroxyphenyl)propenoate; (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate |
C21H20O7 |
384.4 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
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 |
|
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 |
|
TCMBANKIN061589 |
chrysosplenelin;Chrysosplenetin |
5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4-chromenone; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; chrysosplenetin; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromone; Quercetagetin 3,6,7,3'-tetramethyl ether; 4H-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-; Chrysosplenetin B; 603-56-5; 69234-29-3; C10030 |
C19H18O8 |
374.34 |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
|
TCMBANKIN061590 |
isorhamnetin |
3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether |
C16H12O7 |
316.26 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061591 |
Quercetin der.; |
Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy- (8CI); Quercetin-3,3'-dimethyl ether; AIDS-071757; 4382-17-6; Quercetin-3,3-dimethyl ether; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-chromen-4-one; Quercetin-3,3'-dimethylether; Quercetin 3,3'-dimethyl ether; NSC 254669; 3,3'-Di-O-methylquercetin; 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-chromone; 3,3'-Dimethylquercetin; 3,3'-Dimethoxyquercetin; NSC254669; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-chromenone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy-; AIDS071757; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy- (9CI); 4H-1-Benzoyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; 4',5,7-trihydroxy-3,3'-dimethoxyflavone; Quercetin-3,3'-dimethyl ether; NSC-254669; 4382-17-6; LMPK12112752; CHEMBL511363; 5,7,4'-Trihydroxy-3,3'-dimethoxyflavone; Flavone,5,7-trihydroxy-3,3'-dimethoxy-; Quercetin-3,3-dimethyl ether; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen; Quercetin-3,3'-dimethylether; Quercetin 3,3'-dimethyl ether; FMEHGPQTMOPUGM-UHFFFAOYSA-N; NSC 254669; 3,3'-Di-O-methylquercetin; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; UNII-J03N0KJ42I; SCHEMBL1252850; 3,3'-Dimethylquercetin; 3,3'-Dimethoxyquercetin; NSC254669; DTXSID60195941; 3,3'-Dimethylquercetol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-; AC1NSUVV; Flavone, 4',5,7-trihydroxy-3,3'-dimethoxy-; 3,3'-O-DIMETHYLQUERCETIN; J03N0KJ42I; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy- (9CI); 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-chromen-4-one #; 4H-1-Benzoyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-;quercetin 3,3′-dimethyl ether;3,3'-dimethylquercetin;quercetin- 3,3′- dimethylether |
C17H14O7 |
330.29 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O |
|
TCMBANKIN061595 |
Cirsilineol |
circilinol;5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4-chromenone; AIDS-134790; 4',5-Dihydroxy-3',6,7-trimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-; Cirsilineol (5,4'-dihydroxy-6,7,3'-trimethoxyflavone); 41365-32-6; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromone; C10032; AIDS134790; 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one; cirsilineol; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one; NSC633556 |
C18H16O7 |
344.32 |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O |
|
TCMBANKIN061596 |
chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone |
35.850895 |
C16H12O6 |
300.26 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN061598 |
iristectorigenin B |
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone; 5,7-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one; 5,7-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone; 39012-01-6; 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one;Iristectorigenin A |
C17H14O7 |
330.29 g/mol |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
|
TCMBANKIN061599 |
3'-Methoxydaidzein |
7,4'-dihydroxy-3'-methoxyisoflavone; 4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; CHEBI:65780; MolPort-039-063-534; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one; DTXSID30176328; 3/'-Methoxydaidzein; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromone; SCHEMBL2069826; ZINC5999157; CHEMBL450602; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; AC1NSY21; LMPK12050057; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; 3'-methoxydaidzein; AKOS025288163; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 4',7-dihydroxy-3'-methoxyisoflavone; BG01576586; 21913-98-4; Isoflavone, 4',7-dihydroxy-3'-methoxy-; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromen-4-one |
C16H12O5 |
284.26 g/mol |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN061603 |
Threo-dihydroxydehydrodiconiferyl alcohol;erythro-dihydroxydehydrodiconiferyl alcohol;erytho-dihydroxydehydrodiconiferyl alcohol |
Erytho-dihydroxydehydrodiconiferyl alcohol; AC1NSV83; 1-[(3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,2,3-triol; threo-dihydroxydehydrodiconiferyl alcohol;erythro-dihydroxydehydrodiconiferyl alcohol;erytho-dihydroxydehydrodiconiferyl alcohol |
C20H24O8 |
392.44 |
COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)OC)C(C(CO)O)O)CO)O |
|
TCMBANKIN061606 |
Silibinin |
7C3MT; NSC 651520; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromanone; Silybin (7CI); AC-6081; MEGxp0_001301; Silybine; BC216320; Spectrum3_001132; AIDS-003063; SDCCGMLS-0066916.P001; 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-; SMP2_000323; KBio3_002123; 3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)- 2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone; Silibinin [INN]; AIDS003063; silybin; ZINC21992919; 3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone; Spectrum2_001694; BB_NC-1044; NCGC00091057-01; Silibinina [INN-Spanish]; NSC651520; 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2R-(2-alpha,3-beta,6(2R*,3R*)))-; EINECS 245-302-5; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; Spectrum5_001893; Flavobin Spofa; SPECTRUM1505256; 4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-; Silibininum [INN-Latin]; Silibinine [INN-French]; Silymarin I; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; ZINC02033589; Silliver; Flavobin; Silymarine I; KBioGR_002481; (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one; AKOS015965310; Spectrum4_001978; SPBio_001648; BSPBio_002623;SILYBIN |
C25H22O10 |
482.44 g/mol |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
|
TCMBANKIN061608 |
AIDS214634 |
(1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; (1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxy-phenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; AIDS-214634; 1H,3H-Furo[3,4-c]furan-3a(4H)-ol, dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-, (1S,3aS,4R,6aR)-;(+)-1-hydroxy-2,6-bis-epi-pinoresinol;(+)-1-hydroxylpinoresinol;(+)-1-hydroxylpinoresinol;8-hydroxypinoresinol |
C20H22O7 |
374.4 g/mol |
COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN061614 |
3'-methyleriodictyol |
EINECS 207-173-3; homoeriodictyol; NCGC00163565-01; C09756; AIDS058011; (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 446-71-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (2S)-; AIDS-058011; homoeriodictyol ; (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromanone; (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-4-one; Eriodictyol 3'-methyl ether; (2S)-5,7-;dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-one; (-)-Homoeriodictyol;3'-Methyl eriodictyol-7-O-beta-D-glucoside_qt; 3'-Methyl eriodictyol |
C16H14O6 |
302.28 |
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN061621 |
(-)-Olivir |
(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol; (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)-3-tetrahydrofuranol; (3S,4R,5S)-3-(4-hydroxy-3-methoxy-benzyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-ol; AIDS224555; 3-Furanmethanol, 2-(4-hydroxy-3-methoxyphenyl)tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2S,3R,4S)-; (3S,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(hydroxymethyl)tetrahydrofuran-3-ol; AIDS-224555 |
C26H34O12 |
538.54 |
COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN061626 |
WIKSTROMOL |
wikstromol; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; (3S,4R)-3-hydroxy-3,4-bis(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 2(3H)-Furanone, dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-; Dibenzylbutyrolactone; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; NSC271296; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; WIKSTROEMIA FOETIDA B641599K027; (3S,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; B641599K027;(- )-nortrachelogenin |
C20H22O7 |
374.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
|
TCMBANKIN061627 |
matairesinol |
41328-88-5; AIDS030806; (-)-Matairesinol; Matairesinol; 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone; AIDS-030806; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one; ARTIGENIN CONGENER; (3R,4R)-3,4-bis(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one; 580-72-3; DIBENZYLBUTYROLACTONE LIGNANOLIDE; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one; 40043_FLUKA; MEGxp0_001689; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one; Arbo 5; C10682; (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone; (alphaR,betaR)-alpha,beta-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone; ACon1_001075; 2(3H)-Furanone, dihydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-;(- )-matairesinol;MAX |
C20H22O6 |
358.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061628 |
Lariciresinol |
27003-73-2; NSC329247; lariciresinol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol; Lariciresinol, (+)-; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxy-benzyl)-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol; C10646; Arbo 4; (+)-lariciresinol |
C20H24O6 |
360.4 g/mol |
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O |
|
TCMBANKIN061629 |
Gingerenone-C |
(E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one; (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one;gingerenone c |
C20H22O4 |
326.39 |
COC1=C(C=CC(=C1)CCC(=O)C=CCCC2=CC=C(C=C2)O)O |
|
TCMBANKIN061635 |
n-trans-feruloylmethoxytyramine |
Hmp-hmpep; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide; NSC723670; 83608-86-0; N-trans-feruloylmethoxytyramine; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acrylamide; 3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (E)-; (E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide |
C19H21NO5 |
343.4 g/mol |
COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061637 |
sappanchalcone |
sappanchalcone;2'-methoxy-3,4,4'-trihydroxychalcone |
C16H14O5 |
286.28 g/mol |
COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC(=C(C=C2)O)O |
|
TCMBANKIN061643 |
Ganhuangenin;Viscidulin III;5,7,2',5'-tetrahydroxy-8,6'-dimethoxy flavone |
2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromen-4-one; 92519-91-0; 4H-1-Benzopyran-4-one, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-; ST077153; 5,7,2',5'-Tetrahydroxy-8,6'-dimethoxy flavone; 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone; Sb 1; AIDS211317; AIDS-211317; 2',5,5',7-Tetrahydroxy-6',8-dimethoxyflavone; 2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromone; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4-chromenone |
C17H14O8 |
346.29g/mol |
COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O |
|
TCMBANKIN061651 |
skullcapflavone i |
5,2'-Dihydroxy-7,8-dimethoxyflavone; Ambap41060-16-6; ZINC2392262; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-; MolPort-035-706-534; SKULLCAPFLAVONEI; 2',5-Dihydroxy-7,8-dimethoxyflavone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one; 41060-16-6; W2788; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromen-4-one; LMPK12111304; AKOS032961992; Skullcapflavone I; panicolin; 8P86A8Q1G0; Skullcapflavone I, analytical standard; AC1NSZFT; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4-chromenone; UNII-8P86A8Q1G0; SCHEMBL6069761;Panicolin |
C17H14O6 |
314.29 g/mol |
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC |
|
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 |
|
TCMBANKIN061655 |
Berlambine |
4-27-00-06654 (Beilstein Handbook Reference); BRN 0339209; Prestwick_92; 8-Oxyberberine; Oxyberberine; NSC93138; 8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-; 549-21-3; Ketoberberine; NSC 93138; 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone; Oxyberberin |
C20H17NO5 |
351.35 |
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC |
|
TCMBANKIN061661 |
Swertiaperennin |
1,8-Dihydroxy-2,6-dimethoxyxanthen-9-one; 1,8-dihydroxy-2,6-dimethoxy-xanthen-9-one; Methylswertianin; 2-O-Methylswertianin; 1,8-dihydroxy-2,6-dimethoxy-xanthone; C10083; 1,8-dihydroxy-2,6-dimethoxy-9-xanthenone; 1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one; 9H-Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy- (9CI); BRN 1351740; Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy-; 22172-17-4; 1,8-Dihydroxy-2,6-dimethoxyxanthone |
C15H12O6 |
288.25 g/mol |
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O |
|
TCMBANKIN061662 |
Patuletin |
519-96-0; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-benzopyrone; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-chromenone; patuletin; patuletin ; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-chromen-4-one; Quercetagetin 6-methyl ether; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxychromen-4-one; EINECS 208-280-8; C10118; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-chromone; 6-methoxyquercetin |
C16H12O8 |
332.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061663 |
axillarin |
3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; axillarin ; DTXSID80199840; NCGC00168986-01; C10021; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-; CHEBI:2941; DMQT; Axillarin; 3',4',5,7-tetrahydroxy-3,6-dimethoxy-flavone; MCULE-1507651933; MEGxp0_000118; CHEMBL487810; AC1NQYPJ; 5188-73-8; 3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; BDBM50242286; 3,6-Dimethoxyquercetagetin; ACon1_000535; SCHEMBL1155670; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one; Quercetagetin 3,6-dimethyl ether; NCGC00168986-02!2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; NP-000321; LMPK12112990; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one;ACon1_000535; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-chromone; 5188-73-8; 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-; Quercetagetin 3,6-dimethyl ether; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4-chromenone; Axillarin; C10021; 3,6-Dimethoxyquercetagetin; MEGxp0_000118; DMQT |
C17H14O8 |
346.3 g/mol |
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061664 |
eupafolin |
6-methoxy-5,7,3',4'-tetrahydroxyflavone; eupafolin;Nepetin;6-methoxyluteolin;NSC122416; Flavone, 3',4',5,7-tetrahydroxy-6-methoxy-; nepetin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one; AIDS027676; MLS000728561; NSC 122416; ST5309235; SMR000440634; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy- (9CI); AIDS-027676; Flavone, 3',4',5,7-tetrahydroxy-6-methoxy- (8CI); 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromone; 5,7,3',4'-Tetrahydroxy-6-methoxyflavone; EUPAFOLIN; MLS000877025; MEGxp0_000458; 6-Methoxyluteolin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-chromenone; ACon1_000516; 520-11-6; ZINC01081536; NCGC00163594-01; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one |
C16H12O7 |
316.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061665 |
hispidulin |
447H887; 5,7,4'-trihydroxy-6-methoxyflavone; Dinatin; 6-methoxyapigenin; LS-173226; CTK8G0189; NSC 122415; BDBM50049395; UNII-N7F61604C2; B6959; 4H-1-Benzopyran-4-one,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; hispidulin ; ACon1_000933; MLS000728540; NP-001963; ZINC5732241; 4',7-Trihydroxy-6-methoxyflavone; MCULE-3882973229; SCHEMBL514926; HMS3344G13; C10058; 4?,5,7-Trihydroxy-6-methoxyflavone; PubChem SID: 26725244; W1618; MolPort-001-740-838; NSC122415; KS-00001FKN; MEGxp0_000683; Hispidulin; Oprea1_873387; cid_5281628; methoxyapigenin; BRD-K72066874-001-01-0; Flavone,5,7-trihydroxy-6-methoxy-; TCMDC-123942; N7F61604C2; FT-0697687; 1447-88-7; Scutellarein 6-methyl ether; CCRIS 8484; HMS2223A03; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; 6-methylscutellarein; HY-N1950; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one #; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one; Flavone, 4',5,7-trihydroxy-6-methoxy-; SMR000445653; AN-49210; 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one; hispidulin(dinatin); AKOS004110694; NCGC00167728-02; 6-methoxy apigenin; 5,7,4''-Trihydroxy-6-methoxyflavone; HUL; 4CN-1206; DTXSID30162786; NCI60_000530; CS-6502; IHFBPDAQLQOCBX-UHFFFAOYSA-N; ST024778; 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-; CHEBI:75902; AC1NQYRM; BG01592767; C-56393; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; NCGC00167728-01; CHEMBL293776; NSC-122415; NCGC00169216-01; Q-100165; 6-O-Methylapigenin; 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; LMPK12111159; 4',5,7-Trihydroxy-6-methoxyflavone; Dinatin; NCI60_000530; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; AIDS126680; NSC122415; MEGxp0_000683; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-chromenone; Hispidulin; ST024778; Oprea1_873387; 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-; NSC 122415; ZINC00113457; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one; Flavone, 4',5,7-trihydroxy-6-methoxy-; SMR000445653; AIDS-126680; ACon1_000933; 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-; MLS000728540; 6-O-Methylapigenin; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromone; 1447-88-7; C10058; Scutellarein 6-methyl ether; 4',5,7-Trihydroxy-6-methoxyflavone; 6-methoxyapigenin |
C16H12O6 |
300.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061666 |
oroxylin |
5,7-dihydroxy-6-methoxy-2-phenyl-4H-chromen-4-one; CTK1D7949; ZINC5998558; Oroxylin A; CHEMBL183513; 5,7-Dihydroxy-6-methoxy-2-phenyl-chromen-4-one; SC-69298; NP-005013; HY-N0560; MolPort-019-937-219; 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one; AKOS015903364; Oroxylin-A; MFCD02259441; UNII-53K24Z586G; 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one; 6-Methoxybaicalein;; FT-0688332; Oroxylin A, >=98% (HPLC); CHEBI:61668; 5,7-dihydroxy-6-methoxyflavone; BDBM50430091; AC1NSZBG; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-; 5,7-Dihydroxy-6-methoxyflavone;; Y0150; I14-19006; baicalein 6-methyl ether; 53K24Z586G; DTXSID70197375; Baicalein 6-methyl ether;6-Methoxybaicalein; 480-11-5; SCHEMBL431423; LMPK12111096; Oroxylin; CS-4948 |
C16H12O5 |
284.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O |
|
TCMBANKIN061668 |
dihydrooroxylin A |
NCGC00180735-02!5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; (S)-5,7-Dihydroxy-6-methoxy-2-phenylchroman-4-one; SMR000440557; CHEBI:67376; 5,7-Dihydroxy-6-methoxyflavanone; AC1NSUL5; NP-001206; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (S)-; HMS2268B15; MCULE-9660679251; Flavanone, 5,7-dihydroxy-6-methoxy-; Dihydrooroxylin; MolPort-001-740-631; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one; SCHEMBL12067042; LMPK12140611; QUAPPCXFYKSDSV-UHFFFAOYSA-N; MEGxp0_000455; dihydrooroxylin a; BRD-A37403959-001-01-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (2S)-; NCGC00180735-01; MLS000876753; Dihydrooroxylin A; CHEMBL1517942; ACon1_000257; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; 5-hydroxy-6-methoxyflavanone-7-O-α-D-galactopyranoside_qt; DIHYDROOROXYLIN |
C16H14O5 |
286.28 |
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O |
|
TCMBANKIN061669 |
(-)-discretamine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502; CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01; scoulerine; (S)-Scoulerine |
C19H21NO4 |
327.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
TCMBANKIN061670 |
Isocorypalmine |
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol; 483-34-1; 5,8,13,13a-Tetrahydrocolumbamine; AJ-84169; 20504-94-3; SCHEMBL16035972; (-)-Isocorypalmine; BDBM50429057; UNII-YHT108XMMM component KDFKJOFJHSVROC-INIZCTEOSA-N; 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (S)- (9CI); ZINC30725153; Corydalis L; l-Tetrahydrocolumbamine; l-Isocorypalmine; (S)-3,9,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol; 6611AB; AX8235065; ISOCORYPALMINE, (-)-; FT-0670441; AKOS016007096; O10-Methylstepholidine; Tetrahydro-columbamine; C04118; CHEMBL2334891; 5, 8, 13, 13a-tetrahydrocolumbamine; CHEBI:17772; CTK8C0461; HY-N0927; (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol; Tetrahydrocolumbamine; (S)-THC; ANW-64713; ST24036047; 13a-alpha-Berbin-2-ol, 3,9,10-trimethoxy- (8CI); 2-O-Desmethyl-L-THP; 1356-03-2; UNII-MX470OL19D; isocorypalmine; AK103526; S-TETRAHYDROCOLUMBAMINE; ACM483341; MX470OL19D; 483-33-0; MolPort-023-332-930; (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol; TC-153458; (13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol; (S)-Tetrahydrocolumbamine; AC1L98XN; KB-211380; Columbamine, tetrahydro- (7CI); tetrahydrocolumbamine |
C20H23NO4 |
341.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
|
TCMBANKIN061671 |
dl-tetrahydropalmatine |
dl-tetrahydropalmatine;AIDS002241; 84-38-8; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-; CHEBI:16563; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-; (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; AIDS-002241; C02890; Hyndarine; (-)-Corydalis; 4880-82-4 (HCL); NSC36363 (HCL); InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s; 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine; 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline; BB_NC-1018; Gindarine; Tetrahydropalmatine (6CI); Berbine, 2,3,9,10-tetramethoxy- (8CI); Tetrahydropalmatine; l-Tetrahydropalmatine; (S)-Tetrahydropalmatine; Caseanine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-; Rotundine; (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline; 483-14-7; (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-; (-)-Tetrahydropalmatine;2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride; 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline hydrochloride; AKOS024399264; MolPort-002-321-247; Berbine,3,9,10-tetramethoxy-, hydrochloride; NSC-132057; NSC-209411; 2,3,9,10-Tetramethoxyberbine hydrochloride; 6024-85-7; CHEMBL1412574; NSC132058; Palmatine, hydrochloride, (.+-.)-; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (R)-; Tetrahydropalmatine hydrochloride; 024T857; C-55689; MCULE-7006385138; Palmatine, hydrochloride, (+)-; A832652; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride; MLS000029596; Ambotz6024-85-7; 2506-20-9; FT-0698667; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; WLN: T D6 B666 KN&TT&J GO1 HO1 PO1 QO1 &GH; AC1O7ERI; NSC132057; NSC-132058; MLS002535962; AK310574; 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride; AC-8031; 13a.beta.-Berbine,3,9,10-tetramethoxy-, hydrochloride; Berbine,3,9,10-tetramethoxy-, hydrochloride, (+)-; NSC209411; Berbine,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6000000-azatetraphene hydrochloride; SCHEMBL3502167; AC1Q3C4E; D-Tetrahydropalmatine hydrochloride; Tetrahydropalmatine, HCl; SMR000008833;(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;Hyndarin;tetrahydropalmatine;L-tetrahydropalmatine;STOCK1N-14407 |
C21H25NO4 |
355.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
|
TCMBANKIN061673 |
jatrorrizine |
Jatrorrhizine, iodide; 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide; iatrorrhizine; JATRORRHIZINE IODIDE; jatrorhizinc; CHEMBL1990190; NSC-93137; AC1NURFL; Q-100433; Ambap3621-38-3; 7,8,13,13alpha-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium; jatrorrhizine; 1168-00-9; KB-78657; NSC93137; jatrorrhizine; jatrorrhizine |
C20H20NO4+ |
338.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
|
TCMBANKIN061674 |
palmatin;palmatine |
V1557; 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo(a,g)quinolizinium hydroxide; Calystigine; Palmatine chloride; palmatine ; 6771L5MN8S; UNII-6771L5MN8S; MolPort-039-138-801; 3486-67-7 (Parent); Palmatine hydroxide; 131-04-4; BG01657711; AC1L43OM; Palmatinium hydroxide; LS-61262; DTXSID60156830; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxyberbinium hydroxide; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, hydroxide; 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide; AS-17724 |
C21H22NO4+ |
352.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
|
TCMBANKIN061675 |
berberime |
berberine ; isoquinoline alkaloid; berberine |
C20H18NO4+ |
336.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
|
TCMBANKIN061677 |
Cepharanone B |
Aristololactam bii; 37326-16-2; Dibenz[cd,f]indol-4(5H)-one, 1,2-dimethoxy-; Dibenz(cd,f)indol-4(5H)-one, 1,2-dimethoxy-; cepharanone b; 53948-09-7; AIDS224741; AIDS-224741 |
C17H13NO3 |
279.29 |
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)OC |
|
TCMBANKIN061679 |
Oxoglaucine |
Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2,9,10-tetramethoxy-; oxoglaucine; MLS000574946; ZINC01726300; TNP00333; NCGC00142561-01; 7H-Dibenzo(de,g)quinolin-7-one, 1,2,9,10-tetramethoxy-; SMR000156317; O-Methylatheroline; NCGC00017383-01; ST057704; 7H-Dibenzo[de,g]quinolin-7-one, 1,2,9,10-tetramethoxy-; ATHEROLINE, O-METHYL; NSC141543; 5574-24-3; Liriodendron base |
C20H17NO5 |
351.4 g/mol |
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC |
|
TCMBANKIN061680 |
Oxonuciferine |
oxonuciferine; Oxonuciferine; 1,2-Dimethoxy-7H-dibenzo[de,g]quinolin-7-one; (+)-ushinsunine-beta-N-oxide; 15444-20-9; AKOS028110808; 15,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9,11,13(17),14-OCTAEN-8-ONE; lysicamine; NSC 628003; DPBMWJXWUINLQT-UHFFFAOYSA-N; DTXSID00165628; UNII-6L30DD6R7O; AIDS008762; BRN 1486372; 7H-Dibenzo[de,g]quinolin-7-one, 1,2-dimethoxy-; 5-21-13-00382 (Beilstein Handbook Reference); 1,2-Dimethoxy-7H-dibenzo(de,g)quinolin-7-one; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-dimethoxy-; 7H-Dibenzo(de,g)quinolin-7-one, 1,2-dimethoxy-; MolPort-044-754-181; CHEBI:70650; D01RUH; AC1L3V30; NSC-628003; 6L30DD6R7O; NSC628003; 1,2-Dimethoxy-7H-dibenzo[de,g]quinolin-7-one #; BDBM50292452; LS-97036; 7H-Dibenzo(de,g)quinolin-7-one, 1,2-dimethoxy- (9CI); AIDS-008762; SCHEMBL2046474; CCRIS 3813; CHEMBL510090; Lysicamine |
C18H13NO3 |
291.3 g/mol |
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC |
|
TCMBANKIN061681 |
Nornuciferine;n-nornuciferine;daechualkoloid A;(s)-nornuciferine |
NORAPORPHINE, 1,2-DIMETHOXY-; dl-Nornuciferine; 1,2-Dimethoxynoraporphine; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (+-)- (9CI); nornuciferine; 54750-04-8 |
C18H19NO2 |
281.35 |
COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC |
|
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 |
|
TCMBANKIN061704 |
isosativan |
FWAWTPASGRNXTO-UHFFFAOYSA-N; 3722-59-6; 2'-hydroxy-4',7-dimethoxyisoflavan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol #; Phenol, 2-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxy-; LMPK12080030; 2'-Isoflavanol, 4',7-dimethoxy-; AC1LBZDQ; CTK8I4645; 2'-Hydroxy-7,4'-dimethoxyisoflavan; 60102-29-6; 2-(3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxyphenol; Isosativan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol; 5-methoxy-2-(7-methoxychroman-3-yl)phenol |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O |
|
TCMBANKIN061705 |
(3r)-vestitol |
(-)-Vestitone; (3R)-vestitone; 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one; DTXSID60331403; SCHEMBL213646; AC1L973Q; 158112-50-6; CHEBI:16786; (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; 7,2'-Dihydroxy-4'-methoxyisoflavanone; R-Vestitone; vestitone; C00786; (3R)-vestitol |
C16H14O5 |
286.28 g/mol |
COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN061711 |
Gazarin |
2,4,5-trimethoxybenzaldehyde;PubChem8263; K-8969; NSC-89299; MLS002695891; UNII-NDU8J2Q00D; NSC 89299; NCGC00091253-01; MFCD00003312; Asaraldehyde (Asaronaldehyde); SDCCGMLS-0066425.P001; ST2415708; 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI; KBio3_001139; 14374-62-0; AN-12166; DB-051236; KB-85563; 2,4,5-Trimethoxy-benzaldehyd; SBB040214; ACMC-1ADV9; NCGC00091253-03; 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%; NSC89299; Spectrum5_000618; HMS3656M12; CCG-38657; DSSTox_CID_2217; MLS006011864; BCP9000230; AK-81441; STK802187; LABOTEST-BB LT00926884; NCGC00091253-07; TIMTEC-BB SBB040214; TRA0030137; CHEMBL1164301; ZINC336939; NCGC00091253-02; AP-065/41884113; TL806230; AKOS BBS-00003175; LS-1267; BG01511388; CS-6035; 3,6-Trimethoxybenzaldehyde; Asaraldehyde; Spectrum_000818; AKOS000119399; F2190-0582; SR-05000002433; SCHEMBL333451; 3,4, 6-Trimethoxybenzaldehyde; DSSTox_GSID_22217; AB1004251; 2,5-Trimethoxybenzaldehyde; ANW-30143; ZB010841; 4CA-0107; BRD-K88219015-001-02-5; Azarylaldehyde; NCGC00091253-05; DSSTox_RID_76523; BBL011033; SMR000112148; LABOTEST-BB LT03381259; Spectrum3_000170; HMS1922P08; AC-4247; KSC236C5N; BSPBio_001639; Spectrum2_000386; DTXSID1022217; CHEBI:113543; HY-100580; NCI-C61632; BG00603133; MLS002473312; 3,4,6-Trimethoxybenzaldehyde; LABOTEST-BB LT03330935; BCP0726000304; ST093686; CTK1D6156; Asarylaldehyde, analytical standard; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; CAS-4460-86-0; s2531; I01-1219; RTR-017129; PS-6109; 2,4,5-Trimethoxybenzaldheyde; NDU8J2Q00D; AJ-19817; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; 2,4,5-TRIMETHOXYBENZALDEHYDE; KS-00000KKZ; SR-05000002433-1; KBioGR_002238; HMS2268O16; AS02818; LS10199; TR-017129; AC1L2GG7; Gazarin; Acrolein(Propenal); IAJBQAYHSQIQRE-UHFFFAOYSA-N; NCGC00091253-06; RP25437; Tox21_400070; Asaronaldehyde; FT-0609813; Asaraldehyde - Asaronaldehyde; MCULE-7174618286; Spectrum4_001759; AC1Q490G; KBioSS_001298; PARAGOS 530447; KBio2_006434; BCPP000436; MolPort-000-871-193; 60T860; 2,4,5-trimethoxy-benzaldehyde; EINECS 224-713-3; Asarylaldehyde, NSC 89299;4460-86-0; SPBio_000571; 4460-86-0; SC-04555; KBio2_003866; CCRIS 1296; HSDB 4502; Q-100162; 2,4,5-Trimethoxy benzaldehyde; A26620; 4-08-00-02715 (Beilstein Handbook Reference); BB_SC-1446; NCGC00091253-04; AI3-36671; 2,4,5-Trimethoxybenzaldehyde, 98%; Asarylaldehyde;NCI-C61632; ZINC00336939; 3,4,6-Trimethoxybenzaldehyde; Asaraldehyde; Asaronaldehyde; Spectrum_000818; NSC 89299; NCGC00091253-01; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; SDCCGMLS-0066425.P001; 92133_FLUKA; KBio3_001139; 14374-62-0; Spectrum4_001759; KBioSS_001298; KBio2_006434; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; Azarylaldehyde; 2,4,5-TRIMETHOXYBENZALDEHYDE; NCGC00091253-03; KBioGR_002238; EINECS 224-713-3; Spectrum5_000618; NSC89299; SPBio_000571; AP-065/41884113; 4460-86-0; Spectrum3_000170; KBio2_003866; CCRIS 1296; HSDB 4502; 2,4,5-Trimethoxy benzaldehyde; 4-08-00-02715 (Beilstein Handbook Reference); NCGC00091253-02; BSPBio_001639; ST5213363; 132152_ALDRICH; AI3-36671; Spectrum2_000386;;Asarylaldehyde;asaronaldehyde;2,4,5-Trimethoxybenzaldehyde |
C10H12O4 |
196.2 |
COC1=CC(=C(C=C1C=O)OC)OC |
|
TCMBANKIN061714 |
1,6-Dihydroxy-2,4-dimethoxyanthraquinone |
142878-33-9; 1,6-Ddma; 9,10-Anthracenedione, 1,6-dihydroxy-2,4-dimethoxy-; 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxy-9,10-anthraquinone; 1,6-Dihydroxy-2,4-dimethoxyanthraquinone V; 1,6-dihydroxy-2,4-dimethoxy-anthracene-9,10-dione; 1,6-dihydroxy-2,4-dimethoxyanthranquinone v; 1,6-dihydroxy-2,4-dimethoxyanthraquinone v |
C16H12O6 |
300.26 g/mol |
COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)O)O)OC |
|
TCMBANKIN061715 |
9,10-dihydroxy-7-methoxy-3-methylene-4H-benzo[g]isochromen-1-one |
80503-54-4; 1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-; 9,10-dihydroxy-7-methoxy-3-methylidene-4H-benzo[g]isochromen-1-one; isotoralactone |
C15H12O5 |
272.25 |
COC1=CC(=C2C(=C1)C=C3CC(=C)OC(=O)C3=C2O)O |
|
TCMBANKIN061718 |
Quercetin-7-Methyl ether |
rhamnetin;Spectrum2_000642; 7-O-Methylquercetin; KBio2_004233; CCRIS 3792; 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one; BSPBio_003125; Spectrum3_001343; Spectrum5_000464; AIDS-003059; 7-Methoxyquercetin; C.I. 75690; 90-19-7; BRN 0047741; Quercetin 7-methyl ether; 5-18-05-00495 (Beilstein Handbook Reference); C10176; NCGC00095624-01; KBio1_001503; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4-chromenone; SPECTRUM310031; Flavonoid;.beta.-Rhamnocitrin; KBio3_002345; NCGC00095624-02; NSC 19802; NCI60_001648; KBioSS_001665; SPBio_000643; AIDS003059; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one; KBio2_001665; Rhamnetin; FLAVONE, 7-METHOXY-3,3',4',5-TETRAHYDROXY-; DivK1c_006559; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromen-4-one; Flavone, 3,3',4',5-tetrahydroxy-7-methoxy- (8CI); 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy- (9CI); 17799_FLUKA; NSC19802; KBio2_006801; .beta.-Rhamnocitrin; 7-Methylquercetin; SDCCGMLS-0066624.P001; Flavone, 3,3',4',5-tetrahydroxy-7-methoxy-; beta-Rhamnocitrin; Spectrum4_001872; ST5331696; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromone; KBioGR_002367; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-; EINECS 201-974-1; Spectrum_001185; SpecPlus_000463; 3,3',4',5-Tetrahydroxy-7-methoxyflavone |
C16H12O7 |
316.26 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN061719 |
rhamnocitrin |
3,4',5-Trihydroxy-7-methoxyflavone; LMPK12112589; AKOS015896728; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one; 7-Methylkaempferol; 3,5-Dihydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one; AC1NT015; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-; CHEBI:80897; MolPort-000-165-388; CHEMBL442289; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; CTK5A6119; W1644; 569-92-6; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; SCHEMBL1759429; 20243-59-8; BG01592770; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; ZINC5998754; I07-0174; Rhamnocitrin; C17059; 4CN-1445; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; ZINC02549348; hydroxy-genkwanin; AKOS015896728 |
C16H12O6 |
300.26 g/mol |
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061723 |
Jaranol |
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; Flavone, 4',5-dihydroxy-3,7-dimethoxy-; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4-chromenone; AIDS039056; ACon1_000321; MEGxp0_000177; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one; 3301-49-3; Kumatakenin; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromone; AIDS-039056; Flavone, 4',5-dihydroxy-3,7-dimethoxy-; BJBUTJQYZDYRMJ-UHFFFAOYSA-N; UNII-5FAQ11412T; Jaranol; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one; SCHEMBL3351483; ZINC5732364; NCGC00169188-01; ACon1_000321; MolPort-001-740-355; 4CN-1330; DTXSID90186645; AC1NSXDF; CHEMBL349724; AKOS032948397; MEGxp0_000177; Kumatakenin; 3301-49-3; 5,4'-dihydroxy-3,7-dimethoxyflavone; Kumatakillin; Kaempferol 3,7-dimethyl ether; 5FAQ11412T; 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-chromen-4-one #; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-; 4',5-Dihydroxy-3,7-dimethoxyflavone; LMPK12112690; 3,7-Di-O-methyl kaempferol; 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one; kumatakenin |
C17H14O6 |
314.29 |
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061728 |
genkwanin |
AIDS003028; ZINC5732375; 4',5-Dihydroxy-7-methoxyflavone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one; 5,4'-Dihydroxy-7-methoxyflavone; 5K3I5D6B2B; Genkwanin, >=98% (HPLC); KBioSS_000810; KBio2_003378; Henquanin; KBioGR_002193; ZINC00058122; Spectrum4_001667; Puddumetin; W1623; 4,5-Dihydroxy-7-methoxyflavone; NCGC00178332-01; DTXSID80195908; TC-169190; KBio2_005946; I07-0230; AKOS015896775; C10046; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; N2092; 4CN-1073; 437-64-9; C-57765; 4'',5-dihydroxy-7-methoxyflavone; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; KBio2_000810; UNII-5K3I5D6B2B; BDBM50187658; 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one; 7-Methylapigenin; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SCHEMBL866123; Spectrum2_001355; Genkwanin; Gengkwanin; AIDS-003028; Spectrum_000330; 4'',5-dihydroxy-7-methoxy flavone; MolPort-003-665-822; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SPBio_001569; 7'O-methyl-apigenin; 7-Methoxyapigenin; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; MFCD00017452; JPMYFOBNRRGFNO-UHFFFAOYSA-N; ST057642; Gonkwanin; CCG-38838; BRD-K29160894-001-02-9; MCULE-4718928065; Apigenin 7-O-Methyl Ether; BSPBio_003042; Apigenin-7-methylether; KBio3_002262; KBio1_001875; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one #; DivK1c_006931; 7-O-Methylapigenin; Spectrum3_001401; FT-0617186; AC1NQYQP; Apigenin 7-methyl ether; LMPK12111018; Spectrum5_000573; CHEBI:75718; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one; SpecPlus_000835; 4',5-dihydroxy-7-methoxy flavone; ACMC-20amrz; DB-051163; 4',5-Dihydroxy-7-methoxyflavone, AldrichCPR; Flavone, 4',5-dihydroxy-7-methoxy-; Genkwanin, analytical standard; CHEMBL210635; apigenin-7-methyl ether; CTK4I7720; 5,4′-dihydroxy-7-methoxyflavone; |
C16H12O5 |
284.26 g/mol |
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061731 |
prunetin |
KBio2_006643; CHEBI:8600; Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI); MFCD00016951; Padmakastein; CHEMBL491174; BIDD:ER0153; LS-39694; ST096009; KBio2_001507; D0A9RM; Spectrum4_001723; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one; CTK8G2643; SC-66909; Oprea1_083784; BRD-K57546357-001-01-6; KBio1_001533; GTPL6919; FT-0708556; KBioGR_002106; AKOS016010281; 4 inverted exclamation marka,5-Dihydroxy-7-methoxyisoflavone; UNII-1TG4H5H11J; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Prunetin (6CI); Prunusetin; SCHEMBL73420; 552P590; BSPBio_003044; Spectrum5_000486; ZINC18847044; AJ-70677; 5-18-04-00595 (Beilstein Handbook Reference); MolPort-003-939-175; C-57556; KBio3_002264; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; Y0172; 4',5-dihydroxy-7-methoxygenistein; AK114738; 5,4'-dihydroxy-7-methoxy-isoflavone; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromone; 4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-; 552-59-0; Spectrum_001027; 7-O-Methyl genistein; AN-45849; 82415_FLUKA; LMPK12050353; KBioSS_001507; EINECS 209-018-5; NCGC00178331-01; 4CN-1042; ST50320097; SMP1_000150; BDBM50359990; AC1NQZ4E; BRN 0292155; 5,4'-dihydroxy-7-methoxyisoflavone; Prunetin, >=98.0% (TLC); ZINC00057630; KQMVAGISDHMXJJ-UHFFFAOYSA-N; C10521; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one; Prunetin; Spectrum3_001402; SpecPlus_000493; 4',5-dihydroxy-7-methoxyisoflavone; DivK1c_006589; KBio2_004075; prunetin ; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone; 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9CI; ST5320097; 1TG4H5H11J; CCRIS 8951; AX8092606; 7-O-methyl-genistein; DTXSID3022530; Padmakastein |
C16H12O5 |
284.26 g/mol |
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061733 |
Gentiacaulein |
gentiacauleine;NSC661743; BDBM174835; 2,8-Dihydroxy-1,6-dimethoxyxanthone; AIDS142918; NP-008544; 2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one; 1,7-dihydroxy-3,8-dimethoxyxanthone; CHEBI:5313; 2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one; DTXSID10415161; 2,8-dihydroxy-1,6-dimethoxyxanthen-9-one; CHEMBL467590; 2,8-dihydroxy-1,6-dimethoxy-9-xanthenone; 15402-27-4; 2,8-dihydroxy-1,6-dimethoxy-xanthone; NSC-661743; 2,8-dihydroxy-1,6-dimethoxyxanthone; gentiacaulein; US9114126, 2027BA1; MLS000563494; 2,6-dimethoxyxanthone; HMS3338N03; AIDS-142918; AC1NQYS1; HMS2227I16; SMR000232301; C10064; Getiacaulein |
C15H12O6 |
288.25 |
COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O |
|
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 |
|
TCMBANKIN061737 |
ZINC00391893;pinostrobin |
ACon1_000237; MEGxp0_001269 |
C16H14O4 |
270.28 g/mol |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN061741 |
cardamomin |
AIDS-345183; (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; ACon1_000221; AIDS345183; Cardamonin; 1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; MEGxp0_000534; (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; 19309-14-9; ZINC04716487; MLS000876992; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-; (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; SMR000440601 |
C16H14O4 |
270.28 |
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
|
TCMBANKIN061753 |
tricin |
5,7,4′-Trihydroxy-3′,5′-dimethoxyflavone; NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate |
C17H14O7 |
330.29 |
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN061755 |
(2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxy-phenyl)-5, 7-dimethoxy-2, 3-dimethylol-tetralin-6-ol |
(6R, 7R, 8S)-8-(4-hydroxy-3, 5-dimethoxy-phenyl)-6, 7-bis(hydroxymethyl)-1, 3-dimethoxy-5, 6, 7, 8-tetrahydronaphthalen-2-ol; (2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxyphenyl)-2, 3-bis(hydroxymethyl)-5, 7-dimethoxy-6-tetralinol; (6R, 7R, 8S)-8-(4-hydroxy-3, 5-dimethoxyphenyl)-6, 7-bis(hydroxymethyl)-1, 3-dimethoxy-5, 6, 7, 8-tetrahydronaphthalen-2-ol; (2R, 3R, 4S)-4-(4-hydroxy-3, 5-dimethoxy-phenyl)-2, 3-bis(hydroxymethyl)-5, 7-dimethoxy-tetralin-6-ol; lyoniresinol; (+)-lyoniresinol |
C22H28O8 |
420.45 |
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO |
|
TCMBANKIN061761 |
Zhebeiresinol |
zhebeiresinol;caruilignan d |
C14H16O6 |
280.27 |
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2 |
|
TCMBANKIN061762 |
syringaresinol |
(+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A |
C34H46O18 |
742.72 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
|
TCMBANKIN061765 |
medioresinol |
4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (–)-Medioresinol; (+)-medioresinol; (+)-Medioresinol di-O-beta-D-glucopyranoside_qt; 40957-99-1 |
C21H24O7 |
388.4 g/mol |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
|
TCMBANKIN061766 |
2,6-dimethoxy-4-(2-propenyl)phenol |
phenol,2,6-dimethoxy-4-(2-propenyl); Methoxyeugenol; NSC16953; 4-Hydroxy-3,5-dimethoxyallylbenzene; InChI=1/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H; methoxyeugenol; 6627-88-9; 2,6-Dimethoxy-4-allylphenol; SBB003607; A31601_ALDRICH; W365505_ALDRICH; Phenol, 4-allyl-2,6-dimethoxy-; NSC60246; 2,6-dimethoxy-4-prop-2-enylphenol; Phenol, 2,6-dimethoxy-4-(2-propenyl)-; ZINC00404273; 4-Allyl-2,6-dimethoxyphenol; 2,6-dimethoxy-4-prop-2-enyl-phenol; 4-allyl-2,6-dimethoxy-phenol |
C11H14O3 |
194.23 g/mol |
COC1=CC(=CC(=C1O)OC)CC=C |
|
TCMBANKIN061767 |
Isogingerenone-B |
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; isogingerenone-b; (E)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one;isogingerenone b |
C22H26O6 |
386.44g/mol |
COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN061773 |
3,4,5-Trimethoxybenzaldehyde |
T68403_ALDRICH; 92140_FLUKA; AIDS017928; BRN 0395163; SBB016338; 4-08-00-02719 (Beilstein Handbook Reference); InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; Benzaldehyde, 3,4,5-trimethoxy-; EINECS 201-701-6; AI3-36673; AIDS-017928; NSC16692; ZINC02504375; 86-81-7; NSC 16692; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,4,5-trimethoxy-benzaldehyde; ANW-38381; F3099-6595; 3,4,5-TRIMETHOXY PHENYL ALDEHYDE; CS-W010602; BG00603136; BBL007764; KSC490M1D; 3, 4, 5-trimethoxy-benzaldehyde; RTR-027021; ST24032528; 3, 4, 5-trimethoxybenzaldehyde; NSC 16692; 3,4,5 -trimethoxybenzaldehyde; TR-027021; AI3-36673; AC1L1NGM; LABOTEST-BB LT03379804; TIMTEC-BB SBB016338; AKOS000118928; NSC-16692; DTXSID4058948; KS-00000JQI; PubChem8266; CHEMBL3577781; RP25430; Benzaldehyde, 3,4,5-trimethoxy-; UNII-WL86YD76N6; TMBA; PARAGOS 530452; BB_SC-6574; 2.3.4-Trihyroxybenzaldehyde; KB-28091; AK-44126; I01-1414; AC1Q489N; AKOS 214-88; AB1003214; LABOTEST-BB LT03333791; FT-0614154; 3,4,5-Trimethoxybenzaldehyde, 98%; 4-08-00-02719 (Beilstein Handbook Reference); 3,4,5,-trimethoxy benzaldehyde; DB-056953; M-3932; ST088220; CCG-231504; InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; 3,4,5 trimethoxybenzaldehyde; LS10216; AJ-35979; MFCD00003364; OPHQOIGEOHXOGX-UHFFFAOYSA-N; AB0007618; 86-81-7; SCHEMBL96635; TL8005630; W-104057; LABOTEST-BB LT00931453; 3,4,5-TRIMETHOXYBENZALDEHYDE; 3,4,5-TRIMETHOXYL BENZALDEHYDE; FT-0082713; BRN 0395163; CTK3J0611; STR03224; SC-07052; ZINC2504375; AC-11732; CJ-08446; OTAVA-BB 7018801952; LS-25170; NSC16692; 3,4,5,-trimethoxybenzaldehyde; WL86YD76N6; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,5-Trimethoxybenzaldehyde; BENZALDEHYDE, 3,4,5-TRIMETHOXY; 3,4,5-trimethoxy benzaldehyde; EINECS 201-701-6; ACMC-209qbj; AS02877; STK498479; 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0% (HPLC); SBB016338; MCULE-4313260384; CT0104; A841837; TRA0091886; AN-42358 |
C10H12O4 |
196.2 g/mol |
COC1=CC(=CC(=C1OC)OC)C=O |
|
TCMBANKIN061779 |
5,3',4',5'-tetramethoxy-6,7-methylenedioxy-isoflavone |
AC1L55TE; 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-; Q-100469; LMPK12050419; N1426; 743I731; 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one; KS-00000GFN; 9-methoxy-7-(3,4,5-trimethoxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; MolPort-020-005-753; V1554; C17958; AK608204; 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one; 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone; ZINC5999015; BG01674001; irisflorentin; MFCD02183467; 9-methoxy-7-(3,4,5-trimethoxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; 41743-73-1; CHEBI:81410; FT-0688295; AKOS015896764; DTXSID60194575; CHEMBL487216; I07-0226 |
C20H18O8 |
386.35g/mol |
COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
|
TCMBANKIN061781 |
hernandin |
69222-20-4 (UNSPECIFIED); AIDS006791; Deoxypodophyllotoxin; AIDS-006791; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one; (-)-Deoxypodophyllotoxin; (-)-Anthricin; Hernandin; Anthricin; DPT; Podophyllotoxin, deoxy-; SILICICOLIN; Desoxypodophyllotoxin; Anthriscin; NCI60_003794; (-)-Desoxypodophyllotoxin; 19186-35-7; 19186-35-7 (5R,5AR,8AR); Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-; 5,8,8a,9,-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; NSC403148; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-; C10556; 4-Deoxypodophyllotoxin; deoxypodophyllotoxin; (-)-deoxypodophyllotoxin; anthricin isomer; isoanthricin; anthricin |
C22H22O7 |
398.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
|
TCMBANKIN061782 |
isopicropodophyllone |
isopicropodophyllone; Podophyllotoxone; picropodophyllone; Picropodophyllon; 477-49-6; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione; C10875; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone; podophyllotoxone |
C22H20O8 |
412.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN061784 |
lirioresinol b dimethyl ether |
1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-; C24H30O8; ( )-O,O-Dimethyllirioresinol B; 1H,3H-Furo(3,4-c)furan, 3aalpha,4,6,6aalpha-tetrahydro-1alpha,4alpha-bis(3,4,5-trimethoxyphenyl)-; ( )-Yangabin; Yangabin; 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5)-trimethoxyphenyl)-, 1alpha,3aalpha,4alpha,6aalpha)-; CCRIS 8944; Lirioresinol B dimethyl ether; O,O-Dimethyllirioresinol B; lirioresinol b dimethyl-ether; Lirioresinol B, dimethyl-; LS-70759; (1S-(1alpha,3aalpha,4alpha,6aalpha))-isomer of epiyangambin; Lirioresinol B, O,O-dimethyl-; (- )-lirioresinol B; ACon1_001856; (1R,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; MEGxp0_001363; CTK4E6827; DTXSID10175733; SCHEMBL17385618; AC1L4ZYE; (1r,3ar,4r,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan; 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-,(1R,3aR,4R,6aR)-; Diayangambin; (+)-Diayangambin; AC1Q70YI; (3R,3aR,6R,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan; Tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-(1R)-1alpha,3abeta,4alpha,6abeta-1H,3H-furo(3,4-c)furan; 21453-68-9; ZINC31477287; yangambin; C10894; ZINC04098936; (1S,3aR,4S,6aR)-1,4-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan; 13060-14-5; Yangambin; diayangambin |
C24H30O8 |
446.5 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC |
|
TCMBANKIN061785 |
(?)-dihydroclusin |
(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol;NSC332042; (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol; 73149-51-6 |
C22H28O7 |
404.5 g/mol |
COC1=CC(=CC(=C1OC)OC)CC(CO)C(CC2=CC3=C(C=C2)OCO3)CO |
|
TCMBANKIN061787 |
(-)-yatein |
Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one |
C22H24O7 |
400.42 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN061793 |
liriodendrin |
HMS2205G05; syringaresinol diglucoside; liriodendrtachioside; MLS002472897; SMR001397008; NCGC00247452-01; Liriodendrin; CHEMBL505393; eleutheroside e |
C34H46O18 |
742.72 g/mol |
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
|
TCMBANKIN061797 |
quercetin-5-methylether |
C10022; SCHEMBL890990; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one; AC1NQYPM; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one; DTXSID80200945; CHEBI:2945; CTK4J6785; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one; AN-45601; C-57752; LMPK12112546; 5-O-Methyl Quercetin; 529T511; BG01606206; 3,3',4',7-Tetrahydroxy-5-methoxyflavone; MFCD00017427; DB-052222; Quercetin 5-methyl ether; AZALEATIN (RG); BDBM50326483; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-chromone; Q-100928; 529-51-1; azaleatin; CHEMBL470848; LS-185205; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-; FT-0632310; 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-chromen-4-one; Ambap529-51-1; 3,3',4 inverted exclamation mark ,7-Tetrahydroxy-5-methoxyflavone; ZINC5998785; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-; 5-O-Methylquercetin;Azaleatin |
C16H12O7 |
316.26 g/mol |
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O |
|
TCMBANKIN061805 |
myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin |
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene |
C11H12O3 |
192.21 g/mol |
COC1=CC(=CC2=C1OCO2)CC=C |
|
TCMBANKIN061806 |
aristolochicacid iva |
aristolochic acid Ⅳa; aristolochic acid D;Aristoloside_qt |
C17H11NO8 |
357.27g/mol |
COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O |
|
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 |
|
TCMBANKIN061827 |
ethoxychelerythrine;lysionotin |
13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; BG01680984; SCHEMBL13103363; 20-ETHOXY-17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; Y0019; AC1NSV9I; 12,13-Dihydro-13-ethoxy-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine; FT-0723636;ACon1_000159; 5,7-Dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromone; C10111; ACon0_001112; AIDS035341; Lysionotin; MEGxp0_001862; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; AIDS-035341; 10176-66-6;ethoxychelerythrine;lysionotin |
C18H16O7 |
344.3 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O |
|
TCMBANKIN061828 |
5-hydroxy-4',7-dimethoxy-flavone; Flavone der. |
AIDS-071717; 5-Hydroxy-4',7-dimethoxy-flavone; Genkwanin 4'-methyl ether; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; NSC94547; Flavone, 5-hydroxy-4',7-dimethoxy- (8CI); 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-; Flavone, 5-hydroxy-4,7-dimethoxy-; 5-Hydroxy-4',7-dimethoxyflavone; 5128-44-9; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone; FLAVONE,5-HYDROXY-4-7-DIMETHOXY; AIDS071717; 5'-Hydroxy-7,4'-dimethoxyflavone; NSC 94547; C10019; Apigenin dimethylether; EINECS 225-867-4; 4',7-Dimethylapigenin; 5-Hydroxy-7,4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- (9CI); Apigenin 7,4'-dimethyl ether; Apigenin 4',7-dimethyl ether; Flavone, 5-hydroxy-4',7-dimethoxy-; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone |
C17H14O5 |
298.29 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
|
TCMBANKIN061831 |
tamgeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
C20H20O7 |
372.37 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC |
|
TCMBANKIN061841 |
Calycosin-7-0-β-D-glucopyranoside |
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside; ononin |
C22H22O9 |
430.4 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN061842 |
8-O-methylretusin |
|
C17H14O5 |
298.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O |
|
TCMBANKIN061845 |
olmelin |
Biochanin-A; NSC123538; Genistein 4-methyl ether; 5,7-dihydroxy-3-(4-methoxyphenyl)chromone; 5,7-dihydroxy-3-(4-methoxyphenyl)-4-chromenone; Genistein 4′-methyl ether; CCRIS 5449; KBioGR_002274; Isoflavone, 5,7-dihydroxy-4'-methoxy- (8CI); Spectrum4_001927; KBio2_005811; BSPBio_002776; Spectrum3_001098; KBio1_001027; NSC 123538; NCGC00017369-01; NINDS_001027; Spectrum2_000047; ST057580; Biochanin A; 5,7-Dihydroxy-4'-methoxyisoflavone; NCGC00022428-03; AIDS012225; C00814; KBioSS_000675; KBio3_001996; SMR000059116; Spectrum5_001624; MLS000069443; AIDS-012225; CHEBI:17574; NCI60_000558; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; IDI1_001027; KBio2_003243; 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-5,7-dihydroxy isoflavone; SPECTRUM10100003; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; SPBio_000173; Spectrum_000195; EINECS 207-744-7; D2016_SIGMA; Biochanin; 4'-Methylgenistein; SMP1_000045; Isoflavone, 5,7-dihydroxy-4'-methoxy-; KBio2_000675; ZINC00016666; 5,7-Dihydroxy-4′-methoxyisoflavone; NCGC00022428-05; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; Oprea1_038096; TNP00319; Biochanine A; 491-80-5; DivK1c_001027 |
C16H12O5 |
284.26 |
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
|
TCMBANKIN061851 |
DPMC |
5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4H-1-benzopyran-4-one; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromone; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one; 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone; 128922-70-3; 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-chromenone; 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-; 5,8-Dihydroxy-2-[2-(4'-methoxyphenyl) ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)ethyl]chromone;5,8-dihydroxy-2-[2-(4'-methoxyphenyl)-ethyl]chromone |
C18H16O5 |
312.32 |
COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O |
|
TCMBANKIN061864 |
Skullcapflavone II |
CHEBI:9061; SCHEMBL3960981; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-; Skullcapflavon II; AC1L3Y1Y; NSC717846; skullcapflavone ii; MolPort-019-937-105; ZINC899074; AC1Q6AIS; DTXSID10203606; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromone; Neobaicalein; 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavone; C10183; NP-016391; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4-chromenone; NSC-717846; 55084-08-7; CHEMBL465561; NCI60_040650; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; Skullcapflavone II, >=90% (LC/MS-UV); LMPK12111423; Scullcapflavone II; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one; MCULE-5710725548 |
C19H18O8 |
374.34 |
COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O |
|
TCMBANKIN061875 |
Aristololactum |
13395-02-3; NSC 87406; 4-27-00-06628 (Beilstein Handbook Reference); BRN 0307971; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-; NSC87406; Aristolactam I; ARISTOLOLACTAM; CCRIS 1545; aristolactam i; Aristolactam |
C17H11NO4 |
293.27g/mol |
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5 |
|
TCMBANKIN061878 |
HMO |
3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Isoformononetin; 3-(4-hydroxyphenyl)-7-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-; 7-methoxy-4'-hydroxyisoflavone; C12125; 4'-HYDROXY-7-METHOXYISOFLAVONE; 3-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 3-(4-hydroxyphenyl)-7-methoxy-chromone;isoformononetin |
C16H12O4 |
268.26 g/mol |
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O |
|
TCMBANKIN061879 |
dulcisxanthone c |
1-hydroxy-2,3,4,6-tetramethoxy-xanthone;1-hydroxy-2,3,4,6-tetramethoxy-xanthen-9-one; 1-hydroxy-2,3,4,6-tetramethoxyxanthen-9-one; 1-hydroxy-2,3,4,6-tetramethoxy-9-xanthenone |
C17H16O7 |
332.3 g/mol |
COC1=CC2=C(C=C1)C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
|
TCMBANKIN061880 |
herniarin |
7-methoxycoumarin; 7- methoxy coumarin; Ayapanin220337_ALDRICH; NSC404559; 7-methoxychromen-2-one; DivK1c_006418; KBioGR_002056; Herniarine; KBio2_006008; KBio3_001206; 2H-1-BENZOPYRAN-2-ON; E, 7-METHOXY-; SDCCGMLS-0066524.P001; Herniarin; 531-59-9; 7-Methoxycoumarin; MEGxp0_000150; ACon1_002037; 64951_FLUKA; 7-Methoxy-2H-1-benzopyran-2-one; 5-18-01-00387 (Beilstein Handbook Reference); C09268; SPBio_000615; NSC 404559; 7-methoxy-2-chromenone; METHOXYCOURMARIN, 7-; BSPBio_001706; Spectrum_000392; KBio2_003440; KBioSS_000872; ST5406549; Spectrum3_000263; EINECS 208-513-3; Methyl umbelliferyl ether; MLS000574914; AIDS026313; SPECTRUM210874; Spectrum4_001558; Spectrum2_000398; Herniarin (6CI); KBio2_000872; SpecPlus_000322; Coumarin, 7-methoxy-; Spectrum5_000156; ZINC00391177; Coumarin, 7-methoxy- (8CI); W515809_ALDRICH; AIDS-026313; Methylumbelliferone; BRN 0141728; KBio1_001362; NCGC00095528-01; SMR000156201 |
C10H8O3 |
176.17 g/mol |
COC1=CC2=C(C=C1)C=CC(=O)O2 |
|
TCMBANKIN061884 |
Pterocarpine |
ZINC02048856; pterocarpine |
C17H14O5 |
298.29 |
COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
|
TCMBANKIN061888 |
Ptelein |
6-methoxy dictamnine;BRN 0616297; 6-Methoxydictamnine; 4,6-dimethoxyfuro[2,3-b]quinoline; 6-Methoxy dictamine; CCRIS 3580; Furo(2,3-b)quinoline, 4,6-dimethoxy-; Pteleine; 2221-41-2 |
C13H11NO3 |
229.23 |
COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3 |
|
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 |
|
TCMBANKIN061892 |
limettin |
HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; citropten; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; citropten; Limetin; 5, 7- dimethoxy coumarin; HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; Spectrum5_001348; AIDS026325; 5,7-Dimethoxy-2-benzopyrone; ZINC00057754; EINECS 207-646-4; CCRIS 3595; DivK1c_000391; NSC217987; NINDS_000391; 487-06-9; SPECTRUM1500707; Spectrum_000243; ST5319835; Citroptene; Limettin; SPBio_000707; CITROPTEN; NCGC00094841-02; 5-18-03-00199 (Beilstein Handbook Reference); NSC 102793; KBio1_000391; KBioGR_001222; 116238_ALDRICH; BSPBio_003016; KBio2_000723; KBio2_005859; Spectrum3_001398; 5,7-Dimethoxycoumarin; AIDS-026325; AI3-36094; KBio2_003291; SDCCGMLS-0066597.P001; IDI1_000391; Citraptene; 5,7-dimethoxy-2-chromenone; KBioSS_000723; Spectrum2_000814; 5,7-dimethoxy-coumarin; BRN 0187066; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 5,7-dimethoxychromen-2-one; Coumarin, 5,7-dimethoxy-; Spectrum4_000781; NCGC00094841-01; KBio3_002236 |
C11H10O4 |
206.19 g/mol |
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC |
|
TCMBANKIN061893 |
7-methoxy-9,10-dihydrophenanthrene-2,5-diol |
87530-30-1; CHEBI:28678; C10257; 4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene;4,7-dihydroxy-2-methoxy-9,10-dihydro-phenanthrene;4, 7-dihydroxy-2-methoxy-9, 10-dihydrophenanthrene |
C15H14O3 |
242.27 g/mol |
COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)O |
|
TCMBANKIN061899 |
4,9-dimethoxy-1-vinyl-beta-carboline |
4,9-dimethoxy-1-vinyl-β-carboline;4,9-dimethoxy-1-vinyl-$b-carboline;4,9-dimethoxy-1-vinylpyrido[3,4-b]indole; 1-ethenyl-4,9-dimethoxy-pyrido[3,4-b]indole; 1-ethenyl-4,9-dimethoxypyrido[3,4-b]indole; 4,9-Dimethoxy-1-vinyl-beta-carboline; 4,9-dimethoxy-1-vinyl-pyrido[3,4-b]indole;CHEMBL3401842; 4,8-dimethoxy-1-vinyl-9H-pyrido[3,4-b]indole; AC1NSUU4; 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole; 4,8-dimethoxy-1-vinyl-9H-$b-carboline; 1-ethenyl-4,9-dimethoxypyrido[3,4-b]indole; 4,9-Dimethoxy-1-vinyl-beta-carboline; Picrasidine D; Kumujian G; 88142-62-5 |
C15H14N2O2 |
254.28 g/mol |
COC1=CN=C(C2=C1C3=CC=CC=C3N2OC)C=C |
|
TCMBANKIN061900 |
1-methoxycanthin-6-one |
1-Methoxycanthinone; AIDS104956; 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-; AIDS-104956; 60755-86-4; 1-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one; 1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one |
C15H10N2O2 |
250.25 |
COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43 |
|
TCMBANKIN061919 |
1,2,6,7-Tetradehydro-3,15-dimethoxyerythrinan-16-ol |
Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3beta)-,erysodine |
C18H21NO3 |
299.4 g/mol |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1 |
|
TCMBANKIN061930 |
5,15-dimethylmorindol |
1,6-dihydroxy-5-methoxy-2-(methoxymethyl)anthracene-9,10-dione; 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone; 1,3-dihydroxy-5,6-dime thoxy-2-methyl-9,10-anthraquinone |
C17H14O6 |
314.29 g/mol |
COCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O |
|
TCMBANKIN061936 |
dimethyl sulfone |
RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone |
C2H6O2S |
94.14 g/mol |
CS(=O)(=O)C |
|
TCMBANKIN061952 |
Crude fiber |
|
SiO2 |
|
O=[Si]=O |
|
TCMBANKIN061957 |
1-Hydroxyanthraquinone |
1- hydroxyl-7hydroxymethylanthraquinone;
α-hydroxyanthraquinone;
Hydroxyanthraquinone |
C14H8O3 |
|
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O |
滇IICP备16009434号-1 |
Dai SX Lab