Molecule Details
| InChIKey | DVTZXBWRHRFDEE-WQWZRYHASA-N |
|---|---|
| Compound Name | 2,3-dihydro-3beta-O-sulfate withaferin A |
| Canonical SMILES | CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.04 |
| Source | ChEMBL |
2D Structure
Activity Profile