NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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Compound5,7,3',4'-tetrahydroxyisoflavone
NPACT-IdNPACT01394
IUPAC3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SynonymsOrobol;Isoluteolin;3',4',5,7-Tetrahydroxyisoflavone;5,7,3',4'-Tetrahydroxyisoflavone;Isoflavone, 3',4',5,7-tetrahydroxy- (7CI,8CI);3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3,4-dihydroxyphenyl)-;5,7-Dihydroxy-3-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one;Norsantal;5,3',4'-Tetrahydroxyisoflavone;3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 5,7,3',4'-Tetrahydroxyisoflavone
PubChem Id5281801
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIOYHCQBYQJQBSK-UHFFFAOYSA-N
InChi1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
SMILESo1c2c(c(=O)c(c3cc(O)c(O)cc3)c1)c(O)cc(O)c2
SMARTOC1=CC(O)=C2C(OC=C(C2=O)C2=CC(O)=C(O)C=C2)=C1
CAS No.480-23-9
Structure
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Cross Refrence in other databases
Super Natural   000480239
CTD   C059811
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemFrog, TimTec, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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