NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundQuercetin 3,5,7,3',4'-pentamethyl ether
NPACT-IdNPACT00892
IUPAC2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Synonyms3,4',5,7-Pentamethoxyflavone
PubChem Id97332
ClassFlavonoid
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyALGDHWVALRSLBT-UHFFFAOYSA-N
InChi1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
SMILESo1c2c(c(=O)c(OC)c1c1cc(OC)c(OC)cc1)c(OC)cc(OC)c2
SMART[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])[H])C([H])=C2OC([H])([H])[H]
CAS No.1247-97-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemFrog, 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

 






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