Bioactive Compound Details
| BioID | bio2209 |
|---|---|
| Name | TYROSCHERIN 9 |
| ChEMBL ID | CHEMBL1684473 |
| Molecular Formula | C21H35NO2 |
| Molecular Weight | 333.52 |
| Molecular Weight (Monoisotopic) | 333.2668 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Tyroscherin 9 |
| Smiles | CC[C@@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC |
| Inchi | InChI=1S/C21H35NO2/c1-5-16(2)14-17(3)8-6-7-9-21(24)20(22-4)15-18-10-12-19(23)13-11-18/h6,8,10-13,16-17,20-24H,5,7,9,14-15H2,1-4H3/b8-6+/t16-,17-,20+,21+/m1/s1 |
| Inchi Key | RNCWKUCWPBNWOH-SSIMMUBLSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.99 |
| Records Key | ['TS9'] |
| Records Name | ['Tyroscherin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
