NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDaidzein
NPACT-IdNPACT00476
IUPAC7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Synonyms4',7-Dihydroxyisoflavone;7,4'-Dihydroxyisoflavone;Isoaurostatin
PubChem Id5281708
ClassFlavonoid
In-vitro anticancer activity 16 cancer cell lines
In-Vivo anticancer activity No
TargetsBAX | CASP3 | CASP9 | CDK2 | CDKN1A | CDKN1B | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyZQSIJRDFPHDXIC-UHFFFAOYSA-N
InChi1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILESo1c2c(c(=O)c(c3ccc(O)cc3)c1)ccc(O)c2
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C(C([H])=C([H])C(O[H])=C2[H])C1=O
CAS No.486-66-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C004742
HIT   C0282
NCI-60 GI50 data   -
Suppliers ABBLIS Chemicals, Abbott Labs, ABI Chem, AKos Consulting & Solutions, Ambinter, Calbiochem, ChemFrog, ChemMol, FINETECH, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Tyger Scientific, Vitas-M Laboratory, 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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