| Compound | 3-beta-Hydroxy-27-p-(Z)-coumaroyloxyolean-12-en-28-oic acid |
| NPACT-Id | NPACT01515 |
| IUPAC | (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-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 | - |
| PubChem Id | 10746421 |
| Class | Terpenoids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZPBONBNZOMMCQS-PBGJSAINSA-N |
| InChi | 1S/C39H54O6/c1-34(2)19-20-38(33(43)44)21-22-39(24-45-32(42)14-9-25-7-10-26(40)11-8-25)27(28(38)23-34)12-13-30-36(5)17-16-31(41)35(3,4)29(36)15-18-37(30,39)6/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9+/t28-,29-,30+,31-,36-,37+,38-,39-/m0/s1 |
| SMILES | O(C[C@]12[C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@@H](O)CC4)(C)C)C)CC=C1[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C(=O)/C=C/c1ccc(O)cc1 |
|
SMART | O[C@H]1CC[C@@]2([#6])[C@@H](CC[C@]3([#6])[C@@H]2CC=C2[C@@H]4CC([#6])([#6])CC[C@@]4(CC[C@@]32COC(=O)C=CC2=CC=C(O)C=C2)C(O)=O)C1([#6])[#6] |
| CAS No. | - |
|
Structure
Download | 
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| 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 |