Bioactive Compound Details
| BioID | bio2529 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL454453 |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 |
| Molecular Weight (Monoisotopic) | 248.1412 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Alphahydroxyasterolide |
| Smiles | C=C1CCC[C@@]2(C)[C@H](O)[C@H]3OC(=O)C(C)=C3C[C@@H]12 |
| Inchi | InChI=1S/C15H20O3/c1-8-5-4-6-15(3)11(8)7-10-9(2)14(17)18-12(10)13(15)16/h11-13,16H,1,4-7H2,2-3H3/t11-,12-,13+,15+/m0/s1 |
| Inchi Key | RVRGUBAZBPVMKB-RMRHIDDWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.3 |
| Records Key | ['7'] |
| Records Name | ['9-alphahydroxyasterolide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
