NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundQuercetin
NPACT-IdNPACT00891
IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
SynonymsSophoretin; Meletin; Quercetol; Xanthaurine; Flavin meletin; Quercetin dihydrate
PubChem Id5280343
ClassFlavonoid
In-vitro anticancer activity 17 cancer cell lines
In-Vivo anticancer activity Yes
TargetsAKT1 | CCND1 | CDH1 | CDH2 | CDK2 | CDKN1A | CDKN1B | MMP9 | SNAI1 | TNF | TWIST1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyREFJWTPEDVJJIY-UHFFFAOYSA-N
InChi1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILESo1c2c(c(=O)c(O)c1c1cc(O)c(O)cc1)c(O)cc(O)c2
SMART[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.117-39-5
Structure
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Cross Refrence in other databases
Super Natural   000117395
CTD   D011794
HIT   C0183
NCI-60 GI50 data   117-39-5
Suppliers Abbott Labs, ABI Chem, AKos Consulting & Solutions, Alsachim, Ambinter, Angene International, ASINEX, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem 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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.