NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGnaphaliin
NPACT-IdNPACT01217
IUPAC-
Synonyms3-O-Methyl-8-methoxygalangin;5,7-dihydroxy-3,8-dimethoxyflavone;
PubChem Id9972910
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOWQLBLNRUZULFV-UHFFFAOYSA-N
InChi1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
SMILESo1c2c(c(=O)c(OC)c1c1ccccc1)c(O)cc(O)c2OC
SMART[H]OC1=C([H])C(O[H])=C(OC([H])([H])[H])C2=C1C(=O)C(OC([H])([H])[H])=C(O2)C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C121845
HIT   -
NCI-60 GI50 data   -
Suppliers MolPort, 
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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