NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundkaempferol-3-methyl ether
NPACT-IdNPACT01246
IUPAC-
Synonyms2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem Id5280862
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVJJZJBUCDWKPLC-UHFFFAOYSA-N
InChi1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
SMILESo1c2c(c(=O)c(OC)c1c1ccc(O)cc1)c(O)cc(O)c2
SMART[#6]OC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, MolPort, Therapeutic Targets Database, 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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