| BioID | bio2108 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1761182 |
|---|
| Molecular Formula | C27H20ClNO7 |
|---|
| Molecular Weight | 505.91 |
|---|
| Molecular Weight (Monoisotopic) | 470.1234 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-(Piperonyl)Berberrubine Chloride |
|---|
| Smiles | COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc2c(c1)OCO2)CCc1cc2c(cc1-3)OCO2.[Cl-] |
|---|
| Inchi | InChI=1S/C27H20NO7.ClH/c1-30-22-5-2-15-8-20-18-11-25-24(33-14-34-25)9-16(18)6-7-28(20)12-19(15)26(22)35-27(29)17-3-4-21-23(10-17)32-13-31-21;/h2-5,8-12H,6-7,13-14H2,1H3;1H/q+1;/p-1 |
|---|
| Inchi Key | WJUCAKGGKKULEX-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.78 |
|---|
| Records Key | ['11'] |
|---|
| Records Name | ['9-O-(Piperonyl)berberrubine chloride'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
