NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTricin
NPACT-IdNPACT00994
IUPAC5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
Synonyms-
PubChem Id5281702
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCDC25C | CDK1 | CDKN1A | WEE1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyHRGUSFBJBOKSML-UHFFFAOYSA-N
InChi1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILESo1c(c2cc(OC)c(O)c(OC)c2)cc(=O)c2c1cc(O)cc2O
SMART[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C1[H]
CAS No.520-32-1
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C017769
HIT   C0037
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, ChemMol, Ennopharm, MolPort, 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.