| BioID | bio2648 |
|---|
| Name | 9-O-ETHYLBERBERRUBINE |
|---|
| ChEMBL ID | CHEMBL2270070 |
|---|
| Molecular Formula | C21H20ClNO4 |
|---|
| Molecular Weight | 385.85 |
|---|
| Molecular Weight (Monoisotopic) | 350.1387 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | CCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-] |
|---|
| Inchi | InChI=1S/C21H20NO4.ClH/c1-3-24-21-16-11-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13(16)4-5-18(21)23-2;/h4-5,8-11H,3,6-7,12H2,1-2H3;1H/q+1;/p-1 |
|---|
| Inchi Key | HFEKMQAJWLENMF-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 1.07 |
|---|
| Records Key | ['16'] |
|---|
| Records Name | ['9-O-ethylberberrubine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
