Bioactive Compound Details
| BioID | bio2663 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL465479 |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.44 |
| Molecular Weight (Monoisotopic) | 316.2038 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Deoxyxeniloide-E |
| Smiles | C=C1CC/C=C(\C)CC[C@@H]2/C(=C\CC3OC3(C)C)COC(=O)[C@@H]12 |
| Inchi | InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6+,15-9-/t16-,17?,18+/m1/s1 |
| Inchi Key | SLBDTTJOIFSXFG-DACSYXBRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.42 |
| Records Key | ['1'] |
| Records Name | ['9-deoxyxeniloide-E'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
