Bioactive Compound Details
| BioID | bio2013 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL252931 |
| Molecular Formula | C15H22BrCl |
| Molecular Weight | 317.7 |
| Molecular Weight (Monoisotopic) | 316.0593 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Deoxyelatol |
| Smiles | C=C1CC[C@H](Br)C(C)(C)[C@@]12CCC(C)=C(Cl)C2 |
| Inchi | InChI=1S/C15H22BrCl/c1-10-7-8-15(9-12(10)17)11(2)5-6-13(16)14(15,3)4/h13H,2,5-9H2,1,3-4H3/t13-,15+/m0/s1 |
| Inchi Key | HJKIRZGFBITYIH-DZGCQCFKSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.78 |
| Records Key | ['2'] |
| Records Name | ['9-deoxyelatol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
