NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGenistein
NPACT-IdNPACT00605
IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SynonymsPrunetol; Genisteol; Genisterin; Sophoricol; Differenol A; Bonistein
PubChem Id5280961
ClassFlavonoid
In-vitro anticancer activity 28 cancer cell lines
In-Vivo anticancer activity Yes
TargetsBAX | BCL2 | CASP3 | CDK1 | CDKN1A | EGFR | NFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyTZBJGXHYKVUXJN-UHFFFAOYSA-N
InChi1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILESo1c2c(c(=O)c(c3ccc(O)cc3)c1)c(O)cc(O)c2
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C(O[H])=C2C1=O
CAS No.446-72-0
Structure
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Cross Refrence in other databases
Super Natural   000446720
CTD   D019833
HIT   C0249
NCI-60 GI50 data   446-72-0
Suppliers ABBLIS Chemicals, Abbott Labs, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Calbiochem, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, HDH Pharma, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Selleck Chemicals, Selleckbio, 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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