| Compound | Uncarinic acid E |
| NPACT-Id | NPACT01000 |
| IUPAC | (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[(E)-4-(4-hydroxyphenyl)-2-oxobut-3-enyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Synonyms | 3-beta-hydroxy-27-p-E-coumaroyloxyolea-12-en-28-oic acid |
| PubChem Id | 44583696 |
| Class | Terpenoids |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | MJZYILIXAGAWLU-MQAMVIOKSA-N |
| InChi | 1S/C39H54O5/c1-34(2)19-20-38(33(43)44)21-22-39(23-27(41)12-9-25-7-10-26(40)11-8-25)28(29(38)24-34)13-14-31-36(5)17-16-32(42)35(3,4)30(36)15-18-37(31,39)6/h7-13,29-32,40,42H,14-24H2,1-6H3,(H,43,44)/b12-9+/t29-,30-,31+,32-,36-,37+,38-,39-/m0/s1 |
| SMILES | O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O)CC(=O)/C=C/c3ccc(O)cc3)(CC2)C)(CC1)C)(C)C |
|
SMART | [H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])C(=O)C([H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C2([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C412671 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| 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 |