| BioID | bio2421 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1078686 |
|---|
| Molecular Formula | C19H20O4 |
|---|
| Molecular Weight | 312.37 |
|---|
| Molecular Weight (Monoisotopic) | 312.1362 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Demethyltrigonostemone |
|---|
| Smiles | COC1=Cc2c(cc(O)c3cc(C)c(OC)cc23)C(C)(C)C1=O |
|---|
| Inchi | InChI=1S/C19H20O4/c1-10-6-13-11(7-16(10)22-4)12-8-17(23-5)18(21)19(2,3)14(12)9-15(13)20/h6-9,20H,1-5H3 |
|---|
| Inchi Key | LPMUQQPZLWUZEQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 1.84 |
|---|
| Records Key | ['2'] |
|---|
| Records Name | ['9-O-demethyltrigonostemone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
