Bioactive Compound Details
| BioID | bio2476 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL518683 |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.51 |
| Molecular Weight (Monoisotopic) | 448.2097 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Deacetylbriareolide H |
| Smiles | CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C |
| Inchi | InChI=1S/C24H32O8/c1-12-7-9-16(29-14(3)25)22(5)17(30-15(4)26)10-8-13(2)19(22)20(27)24-18(11-12)31-21(28)23(24,6)32-24/h8,11,16-20,27H,7,9-10H2,1-6H3/b12-11-/t16-,17+,18+,19-,20-,22+,23-,24+/m1/s1 |
| Inchi Key | YXCIOULYFUHQTK-SVPOHIPHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.29 |
| Records Key | ['2'] |
| Records Name | ['9-deacetylbriareolide H'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
