NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(+)-Isopimaric acid
NPACT-IdNPACT01043
IUPAC-
Synonyms4-Epi-isopimaric acid;(13S)-pimara-7,15-dien-18-oic acid;(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
PubChem Id442048
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsEBV-EA |   All | 
Properties Physical   Elemental  Topological
InChi KeyMXYATHGRPJZBNA-KRFUXDQASA-N
InChi1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
SMILESOC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C[C@@](CC3)(C)C=C)(CCC1)C)C
SMART[H]OC(=O)[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]12[H])C([H])([H])[C@](C([H])=C(/[H])[H])(C([H])([H])[H])C([H])([H])C3([H])[H]
CAS No.5835-26-7
Structure
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Cross Refrence in other databases
Super Natural   005835267
CTD   C115138
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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