Bioactive Compound Details
| BioID | bio2207 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL463127 |
| Molecular Formula | C24H34O8 |
| Molecular Weight | 450.53 |
| Molecular Weight (Monoisotopic) | 450.2254 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Deacetylstylatulide Lactone |
| Smiles | CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@@]3(O)[C@H](/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C)OC(=O)[C@@H]3C |
| Inchi | InChI=1S/C24H34O8/c1-12-7-9-17(30-15(4)25)23(6)18(31-16(5)26)10-8-13(2)20(23)21(27)24(29)14(3)22(28)32-19(24)11-12/h8,11,14,17-21,27,29H,7,9-10H2,1-6H3/b12-11-/t14-,17+,18-,19-,20+,21+,23-,24-/m0/s1 |
| Inchi Key | AZSZOYDZIJLBMC-UOQWHXLTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.15 |
| Records Key | ['4'] |
| Records Name | ['9-deacetylstylatulide lactone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
