Bioactive Compound Details
| BioID | bio2191 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL502148 |
| Molecular Formula | C43H69NO16 |
| Molecular Weight | 856.02 |
| Molecular Weight (Monoisotopic) | 855.4616 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Acetylmidecamycin A1 |
| Smiles | CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC |
| Inchi | InChI=1S/C43H69NO16/c1-12-32(47)57-31-22-34(49)53-25(4)17-15-14-16-18-30(56-28(7)46)24(3)21-29(19-20-45)39(40(31)52-11)60-42-37(50)36(44(9)10)38(26(5)55-42)59-35-23-43(8,51)41(27(6)54-35)58-33(48)13-2/h14-16,18,20,24-27,29-31,35-42,50-51H,12-13,17,19,21-23H2,1-11H3/b15-14+,18-16+/t24-,25-,26-,27+,29+,30+,31-,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1 |
| Inchi Key | YKKSEPVQMRNIJV-CCGCOWOLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 15.0 |
| Np Likeness Score | 2.02 |
| Records Key | ['1'] |
| Records Name | ['9-O-acetylmidecamycin A1'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
