NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPongapinone A
NPACT-IdNPACT01296
IUPAC-
Synonyms(Z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one;146713-95-3;2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-2H-1-bezopyran-6-yl)-3-hydroxy-, (Z)-;
PubChem Id6438794
ClassBenzopyranoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyCHMQLCYFVBURMW-GDNBJRDFSA-N
InChi1S/C23H22O7/c1-23(2)8-7-14-18(30-23)11-20(26-3)21(22(14)27-4)16(25)10-15(24)13-5-6-17-19(9-13)29-12-28-17/h5-11,24H,12H2,1-4H3/b15-10-
SMILESO1C(C=Cc2c1cc(OC)c(c2OC)C(=O)/C=C(O)/c1cc2OCOc2cc1)(C)C
SMART[H]OC(=C([H])C(=O)C1=C(OC([H])([H])[H])C([H])=C2O[C@](C([H])=C([H])C2=C1OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.146713-95-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C077815
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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