| BioID | bio2673 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL594379 |
|---|
| Molecular Formula | C15H14O3 |
|---|
| Molecular Weight | 242.27 |
|---|
| Molecular Weight (Monoisotopic) | 242.0943 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | (+)-9-Demethoxyeleutherin |
|---|
| Smiles | C[C@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@@H](C)O1 |
|---|
| Inchi | InChI=1S/C15H14O3/c1-8-7-12-13(9(2)18-8)15(17)11-6-4-3-5-10(11)14(12)16/h3-6,8-9H,7H2,1-2H3/t8-,9+/m0/s1 |
|---|
| Inchi Key | IQCSFOBYTJBFFN-DTWKUNHWSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | 1.3 |
|---|
| Records Key | ['36', '(+)-3'] |
|---|
| Records Name | ['(1R,3S)-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione', '(+)-9-Demethoxyeleutherin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
