| BioID | bio2252 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2313429 |
|---|
| Molecular Formula | C27H32BrNO4 |
|---|
| Molecular Weight | 514.46 |
|---|
| Molecular Weight (Monoisotopic) | 434.2326 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Octylberberine Bromide |
|---|
| Smiles | CCCCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Br-] |
|---|
| Inchi | InChI=1S/C27H32NO4.BrH/c1-3-4-5-6-7-8-13-30-27-22-17-28-12-11-20-15-25-26(32-18-31-25)16-21(20)23(28)14-19(22)9-10-24(27)29-2;/h9-10,14-17H,3-8,11-13,18H2,1-2H3;1H/q+1;/p-1 |
|---|
| Inchi Key | YELKOSOMTOZWOY-UHFFFAOYSA-M |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 1.02 |
|---|
| Records Key | ['4'] |
|---|
| Records Name | ['9-O-Octylberberine bromide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
