Molecule Details
| InChIKey | CHXGEQWNFRZIOC-DTGSAVRCSA-N |
|---|---|
| Compound Name | 1-[4-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3,4,5,6-tetramethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentamethyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one |
| Canonical SMILES | COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]3(C)O[C@]3(C)OC(C)(C)[C@](C)(O)[C@@](C)(O)[C@H]3O)cc2O)cc1O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.4 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile