| Compound | 20-epibryonolic acid |
| NPACT-Id | NPACT00069 |
| IUPAC | (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid |
| Synonyms | - |
| PubChem Id | 472768 |
| 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 | BHVJSLPLFOAMEV-FPLINDMSSA-N |
| InChi | 1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1 |
| SMILES | O[C@@H]1C([C@H]2[C@@](C3=C([C@@]4([C@]([C@H]5[C@@](CC4)(CC[C@@](C5)(C)C(=O)O)C)(CC3)C)C)CC2)(CC1)C)(C)C |
|
SMART | [#6][C@@]1([#6])[C@@H](O)CC[C@@]2([#6])[C@H]1CCC1=C2CC[C@@]2([#6])[C@@H]3C[C@@]([#6])(CC[C@]3([#6])CC[C@]12[#6])C(O)=O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C533643 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
| 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 |