| BioID | bio2214 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL594695 |
|---|
| Molecular Formula | C15H14O4 |
|---|
| Molecular Weight | 258.27 |
|---|
| Molecular Weight (Monoisotopic) | 258.0892 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | (+)-9-Demethyleleutherin |
|---|
| Smiles | C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@H](C)O1 |
|---|
| Inchi | InChI=1S/C15H14O4/c1-7-6-10-12(8(2)19-7)15(18)13-9(14(10)17)4-3-5-11(13)16/h3-5,7-8,16H,6H2,1-2H3/t7-,8+/m0/s1 |
|---|
| Inchi Key | PPEBHGFEKAUPBT-JGVFFNPUSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | 1.87 |
|---|
| Records Key | ['35', '2'] |
|---|
| Records Name | ['(1R,3S)-9-hydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione', '(+)-9-Demethyleleutherin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
