Bioactive Compound Details
| BioID | bio2233 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL494430 |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.44 |
| Molecular Weight (Monoisotopic) | 348.1937 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Hydroxyxeniolide-F |
| Smiles | C=C1CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@H]2C(=C)C[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C20H28O5/c1-12-7-8-14-15(6-5-9-20(3,4)24)19(23)25-11-16(14)13(2)10-17(21)18(12)22/h5-6,9,14,16-18,21-22,24H,1-2,7-8,10-11H2,3-4H3/b9-5+,15-6-/t14-,16+,17-,18-/m1/s1 |
| Inchi Key | DFVRPHGROBFFBS-KORXDNNLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.09 |
| Records Key | ['2'] |
| Records Name | ['9-hydroxyxeniolide-F'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
