NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEupatorin
NPACT-IdNPACT00571
IUPAC5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
SynonymsEupatorin;Eupatorine;3',5-Dihydroxy-4',6,7-trimethoxyflavone
PubChem Id97214
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsCYP1A1 | CYP1B1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKLAOKWJLUQKWIF-UHFFFAOYSA-N
InChi1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
SMILESo1c2c(c(O)c(OC)c(OC)c2)c(=O)cc1c1cc(O)c(OC)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2O1
CAS No.855-96-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C103110
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, Abbott Labs, 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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