NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSinensetin
NPACT-IdNPACT00948
IUPAC2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one
Synonyms5,6,7,3',4'-Pentamethoxyflavone
PubChem Id145659
ClassFlavonoid
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLKMNXYDUQXAUCZ-UHFFFAOYSA-N
InChi1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
SMILESo1c2c(c(OC)c(OC)c(OC)c2)c(=O)cc1c1cc(OC)c(OC)cc1
SMART[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C([H])C(=O)C2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2O1
CAS No.2306-27-6
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C059295
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemFrog, ChemMol, MolPort, R&D Chemicals, 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.