NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundZapotin
NPACT-IdNPACT01030
IUPAC2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
Synonyms-
PubChem Id629965
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsNFKB1 | ODC1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyPBQMALAAFQMDSP-UHFFFAOYSA-N
InChi1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
SMILESo1c2c(c(OC)c(OC)cc2)c(=O)cc1c1c(OC)cccc1OC
SMART[H]C1=C([H])C(OC([H])([H])[H])=C(C(OC([H])([H])[H])=C1[H])C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C(OC([H])([H])[H])=C2OC([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C517807
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Chemical Synthesis Database, IS Chemical Technology, 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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