Bioactive Compound Details
| BioID | bio2234 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL444557 |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.47 |
| Molecular Weight (Monoisotopic) | 304.2402 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Oxocrinitol |
| Smiles | CC(C)=CCC/C(C)=C/C(=O)C/C(C)=C/CC/C(C)=C/CO |
| Inchi | InChI=1S/C20H32O2/c1-16(2)8-6-10-18(4)14-20(22)15-19(5)11-7-9-17(3)12-13-21/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b17-12+,18-14+,19-11+ |
| Inchi Key | NPMWNIILWACCCM-GNPICRTJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.38 |
| Records Key | ['4'] |
| Records Name | ['9-oxocrinitol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
