| Compound | (+)-Isopimaric acid |
| NPACT-Id | NPACT01043 |
| IUPAC | - |
| Synonyms | 4-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 Id | 442048 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | EBV-EA | All | |
| Properties | Physical Elemental Topological |
| InChi Key | MXYATHGRPJZBNA-KRFUXDQASA-N |
| InChi | 1S/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 |
| SMILES | OC(=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
Download | 
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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 Search | Human metabolite database | FDA approved drugs |