Bioactive Compound Details
| BioID | bio200251 |
|---|---|
| Name | 2-EPI-2-THIOSALVINORIN A |
| ChEMBL ID | CHEMBL231537 |
| Molecular Formula | C23H28O7S |
| Molecular Weight | 448.54 |
| Molecular Weight (Monoisotopic) | 448.1556 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C |
| Inchi | InChI=1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1 |
| Inchi Key | SIUXIXPAKGOVLQ-KWMFLVSKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.35 |
| Records Key | ['7'] |
| Records Name | ['2-epi-2-thiosalvinorin A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
