Molecule Details
| InChIKey | FSRDMRFHWXOZJZ-YWQBUFDDSA-N |
|---|---|
| Compound Name | [(1S,2R,6S,7S,9R,11R,12S,13R,15S,16S)-6-acetyloxy-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H]3C[C@H]3O[C@]132)[C@H](OC(C)=O)C[C@@H]4[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL |
2D Structure
Activity Profile