Bioactive Compound Details
| BioID | bio2823 |
|---|---|
| Name | TYRIANTHIN 9 |
| ChEMBL ID | CHEMBL500594 |
| Molecular Formula | C43H74O20 |
| Molecular Weight | 911.04 |
| Molecular Weight (Monoisotopic) | 910.4773 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Tyrianthin 9 |
| Smiles | CCCCCC1CCCCCCCCCC(=O)O[C@H]2[C@@H](OC(=O)CC)[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O1)O[C@H](C)[C@H](O)[C@H]4O)O[C@H](CO)[C@H](O)[C@H]3O)O[C@H](C)[C@H]2O[C@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C43H74O20/c1-6-8-14-17-24-18-15-12-10-9-11-13-16-19-27(46)60-38-35(61-40-34(53)31(50)28(47)21(3)54-40)23(5)56-43(39(38)59-26(45)7-2)63-37-33(52)30(49)25(20-44)58-42(37)62-36-32(51)29(48)22(4)55-41(36)57-24/h21-25,28-44,47-53H,6-20H2,1-5H3/t21-,22-,23-,24?,25-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+/m1/s1 |
| Inchi Key | PVATZCKYGRERLI-XIZJVXPQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.52 |
| Records Key | ['4'] |
| Records Name | ['tyrianthin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
