Molecule Details
| InChIKey | PNSAXLUIESEAGV-OZDUSQFJSA-N |
|---|---|
| Compound Name | (1S,2R,6S,7R,9R,11R,12S,13R,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,13-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one |
| Canonical SMILES | CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2C[C@@H](O)[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.08 |
| Source | ChEMBL |
2D Structure
Activity Profile