NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundApigenin
NPACT-IdNPACT00270
IUPAC-
SynonymsApigenol; Chamomile; Spigenin; Versulin
PubChem Id5280443
ClassFlavonoid
In-vitro anticancer activtiy 16 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsAKT1 | CCNB1 | CDK1 | CDKN1B | COX-1 | CYP19A1 | CYPIA1 | HIF1A | IGF1 | NOS2 | NQO1 | RPS6KB1 | VEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyKZNIFHPLKGYRTM-UHFFFAOYSA-N
InChi1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILESo1c2c(c(=O)cc1c1ccc(O)cc1)c(O)cc(O)c2
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1
CAS No.520-36-5
Structure
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Cross Refrence in other databases
Super Natural   000520365
CTD   D047310
HIT   C0378
NCI-60 GI50 data   520-36-5
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, Calbiochem, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, 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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