NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3,3'-di-O-Methylquercetin
NPACT-IdNPACT01075
IUPAC-
SynonymsQuercetin 3,3'-dimethyl ether;3,3'-Dimethylquercetin;Quercetin-3,3-dimethyl ether;Quercetin der.;4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-;4382-17-6;3,3'-Dimethoxyquercetin;3,3'-Di-O-methylquercetin;Quercetin-3,3'-dimethylether
PubChem Id5316900
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFMEHGPQTMOPUGM-UHFFFAOYSA-N
InChi1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
SMILESo1c(c2cc(OC)c(O)cc2)c(OC)c(=O)c2c1cc(O)cc2O
SMART[H]OC1=C([H])C(O[H])=C2C(=O)C(OC([H])([H])[H])=C(OC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]
CAS No.4382-17-6?
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C060385
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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