NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPongavilleanine
NPACT-IdNPACT00879
IUPAC3-(1,3-benzodioxol-5-yl)-4-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
Synonyms-
PubChem Id46939887
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVUANFQDNPKCQFM-UHFFFAOYSA-N
InChi1S/C22H18O6/c1-22(2)9-8-13-15(28-22)7-5-14-19(13)27-21(23)18(20(14)24-3)12-4-6-16-17(10-12)26-11-25-16/h4-10H,11H2,1-3H3
SMILESO1C(C=Cc2c1ccc1c2oc(=O)c(c1OC)c1cc2OCOc2cc1)(C)C
SMART[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C1=C(OC([H])([H])[H])C2=C(OC1=O)C1=C(O[C@@](C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C2[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C552983
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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