Molecule Details
| InChIKey | CJFLBULDBHDVQT-HNTWMIBOSA-N |
|---|---|
| Compound Name | (4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-methoxybenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical SMILES | COc1cccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)C[C@@H](OC(=O)C=C(C)C)[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.13 |
| Source | ChEMBL |
2D Structure
Activity Profile