Molecule Details
| InChIKey | KGDSZCYQRYDCCF-WXOQRQQKSA-N |
|---|---|
| Compound Name | (4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(4-chlorobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.02 |
| Source | ChEMBL |
2D Structure
Activity Profile