Bioactive Compound Details
| BioID | bio2352 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL327302 |
| Molecular Formula | C27H36O7 |
| Molecular Weight | 472.58 |
| Molecular Weight (Monoisotopic) | 472.2461 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Methoxystrobilurin L |
| Smiles | C=CC(C)(C)OC(C)(C)C1COc2ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc2O1 |
| Inchi | InChI=1S/C27H36O7/c1-10-26(3,4)34-27(5,6)24-17-32-22-14-12-19(15-23(22)33-24)11-13-21(30-8)18(2)20(16-29-7)25(28)31-9/h10-16,24H,1,17H2,2-9H3/b13-11+,20-16+,21-18+ |
| Inchi Key | IKBKPRBEIXBOIF-VPCMBXRWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.81 |
| Records Key | ['1'] |
| Records Name | ['9-methoxystrobilurin L'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
