| BioID | bio2051 |
|---|
| Name | 9-O-DODECYL-BERBERINE |
|---|
| ChEMBL ID | CHEMBL2365996 |
|---|
| Molecular Formula | C31H40NO4+ |
|---|
| Molecular Weight | 490.66 |
|---|
| Molecular Weight (Monoisotopic) | 490.2952 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | CCCCCCCCCCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 |
|---|
| Inchi | InChI=1S/C31H40NO4/c1-3-4-5-6-7-8-9-10-11-12-17-34-31-26-21-32-16-15-24-19-29-30(36-22-35-29)20-25(24)27(32)18-23(26)13-14-28(31)33-2/h13-14,18-21H,3-12,15-17,22H2,1-2H3/q+1 |
|---|
| Inchi Key | QUMABAVFRFZKGC-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 0.91 |
|---|
| Records Key | ['5b'] |
|---|
| Records Name | ['9-O-dodecyl-berberine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
