NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundFisetin
NPACT-IdNPACT00581
IUPAC2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
SynonymsCotinin; 5-Desoxyquercetin; Superfustel; Fisetholz; Viset; Ventin sumach; Young fustic; Zante fustic; Superfustel K; Ungarisches gelbholz
PubChem Id5281614
ClassFlavonoid
In-vitro anticancer activity 7 cancer cell lines
In-Vivo anticancer activity No
TargetsBAK1 | BCL2 | BCL2L1 | CCND1 | CCNE1 | CDC25C | CDK1 | CDK2 | CDK4 | CDKN1A | COX-2 | EGFR | NFKB1 | PTGER3 | RB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyXHEFDIBZLJXQHF-UHFFFAOYSA-N
InChi1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
SMILESo1c(c2cc(O)c(O)cc2)c(O)c(=O)c2c1cc(O)cc2
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C(O[H])=C(O2)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.528-48-3
Structure
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Cross Refrence in other databases
Super Natural   000528483
CTD   C017875
HIT   C0283
NCI-60 GI50 data   528-48-3
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, R&D Chemicals, Selleck Chemicals, 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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