| BioID | bio2263 |
|---|
| Name | 12a-HYDROXY-9-DEMETHYLMUNDUSERONE-8-CARBOXYLIC ACID |
|---|
| ChEMBL ID | CHEMBL1411329 |
|---|
| Molecular Formula | C19H16O9 |
|---|
| Molecular Weight | 388.33 |
|---|
| Molecular Weight (Monoisotopic) | 388.0794 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | COc1cc2c(cc1OC)C1(O)C(=O)c3ccc(O)c(C(=O)O)c3OC1CO2 |
|---|
| Inchi | InChI=1S/C19H16O9/c1-25-12-5-9-11(6-13(12)26-2)27-7-14-19(9,24)17(21)8-3-4-10(20)15(18(22)23)16(8)28-14/h3-6,14,20,24H,7H2,1-2H3,(H,22,23) |
|---|
| Inchi Key | OCHPVPSALUKLOM-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 1.89 |
|---|
| Records Key | ['SID26749469', '12a-HYDROXY-9-DEMETHYLMUNDUSERONE-8-CARBOXYLIC ACID'] |
|---|
| Records Name | ['SID26749469', '12a-HYDROXY-9-DEMETHYLMUNDUSERONE-8-CARBOXYLIC ACID'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
