Bioactive Compound Details
| BioID | bio2471 |
|---|---|
| Name | BRYOSTATIN 9 |
| ChEMBL ID | CHEMBL500867 |
| Molecular Formula | C43H64O17 |
| Molecular Weight | 852.97 |
| Molecular Weight (Monoisotopic) | 852.4144 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Bryostatin 9 |
| Smiles | CCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 |
| Inchi | InChI=1S/C43H64O17/c1-10-11-35(47)58-39-27(18-37(49)54-9)17-30-21-33(24(2)44)57-38(50)20-28(46)19-31-22-34(55-25(3)45)41(6,7)42(51,59-31)23-32-15-26(16-36(48)53-8)14-29(56-32)12-13-40(4,5)43(39,52)60-30/h12-13,16,18,24,28-34,39,44,46,51-52H,10-11,14-15,17,19-23H2,1-9H3/b13-12+,26-16+,27-18+/t24-,28-,29+,30+,31-,32+,33-,34+,39+,42+,43-/m1/s1 |
| Inchi Key | LJHLORJKOHOIPQ-NZCKTZNVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.71 |
| Records Key | ['2'] |
| Records Name | ['bryostatin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
