Bioactive Compound Details
| BioID | bio197906 |
|---|---|
| Name | 2-THIOSALVINORIN B |
| ChEMBL ID | CHEMBL231536 |
| Molecular Formula | C21H26O6S |
| Molecular Weight | 406.5 |
| Molecular Weight (Monoisotopic) | 406.145 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | COC(=O)[C@@H]1C[C@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C |
| Inchi | InChI=1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1 |
| Inchi Key | NGNBKFTYZQINBO-CEFSSPBYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.51 |
| Records Key | ['5'] |
| Records Name | ['2-thiosalvinorin B'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
