Bioactive Compound Details
| BioID | bio2798 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL517362 |
| Molecular Formula | C17H28O4 |
| Molecular Weight | 296.41 |
| Molecular Weight (Monoisotopic) | 296.1988 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Botry-5(9)-Enediol |
| Smiles | CC(=O)O[C@H]1C[C@@H](C)[C@H](CO)C2=C1C(C)(C)C[C@]2(C)CO |
| Inchi | InChI=1S/C17H28O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h10,12-13,18-19H,6-9H2,1-5H3/t10-,12+,13+,17-/m1/s1 |
| Inchi Key | FRALJFKQFNTSAY-FIHUPRISSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.69 |
| Records Key | ['24'] |
| Records Name | ['Botry-5(9)-enediol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
