| BioID | bio2501 |
|---|
| Name | 9-O-ETHYL-13-ETHYLBERBERRUBINE |
|---|
| ChEMBL ID | CHEMBL2270071 |
|---|
| Molecular Formula | C23H24ClNO4 |
|---|
| Molecular Weight | 413.9 |
|---|
| Molecular Weight (Monoisotopic) | 378.17 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | CCOc1c(OC)ccc2c(CC)c3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-] |
|---|
| Inchi | InChI=1S/C23H24NO4.ClH/c1-4-15-16-6-7-19(25-3)23(26-5-2)18(16)12-24-9-8-14-10-20-21(28-13-27-20)11-17(14)22(15)24;/h6-7,10-12H,4-5,8-9,13H2,1-3H3;1H/q+1;/p-1 |
|---|
| Inchi Key | PSXYWKIWNLYYQJ-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 0.89 |
|---|
| Records Key | ['17'] |
|---|
| Records Name | ['9-O-ethyl-13-ethylberberrubine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
