Bioactive Compound Details
| BioID | bio2592 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2313433 |
| Molecular Formula | C34H40BrNO4 |
| Molecular Weight | 606.6 |
| Molecular Weight (Monoisotopic) | 526.2952 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Farnesylberberine Bromide |
| Smiles | COc1ccc2cc3[n+](cc2c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCc1cc2c(cc1-3)OCO2.[Br-] |
| Inchi | InChI=1S/C34H40NO4.BrH/c1-23(2)8-6-9-24(3)10-7-11-25(4)15-17-37-34-29-21-35-16-14-27-19-32-33(39-22-38-32)20-28(27)30(35)18-26(29)12-13-31(34)36-5;/h8,10,12-13,15,18-21H,6-7,9,11,14,16-17,22H2,1-5H3;1H/q+1;/p-1/b24-10+,25-15+; |
| Inchi Key | LLGAPBSGBSSBCC-SAJZDXHPSA-M |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 21.0 |
| Np Likeness Score | 1.59 |
| Records Key | ['8'] |
| Records Name | ['9-O-Farnesylberberine bromide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
