Bioactive Compound Details
| BioID | bio88659 |
|---|---|
| Name | THIOCOLCHICOSIDE |
| ChEMBL ID | CHEMBL1705373 |
| Molecular Formula | C27H33NO10S |
| Molecular Weight | 563.63 |
| Molecular Weight (Monoisotopic) | 563.1825 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar101 |
| Target Name | None |
| Synonyms | COLTRAMYL|COLTRAX|MIOREL|MUSCO-RIL|NSC-147755|THIOCOLCHICINE 2-GLUCOSIDE ANALOG|THIOCOLCHICINE GLYCOSIDE|THIOCOLCHICOSIDE|TIOCOLCHICOSIDO |
| Smiles | COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2 |
| Inchi | InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,19-,22-,23+,24-,27-/m1/s1 |
| Inchi Key | LEQAKWQJCITZNK-MSQQGMGVSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.4 |
| Records Key | ['THIOCOLCHICOSIDE', 'THIOCOLCHICOSIDE', 'THIOCOLCHICOSIDE'] |
| Records Name | ['THIOCOLCHICOSIDE', 'THIOCOLCHICOSIDE', 'THIOCOLCHICOSIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
