Bioactive Compound Details
| BioID | bio2358 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL449247 |
| Molecular Formula | C35H62O7 |
| Molecular Weight | 594.87 |
| Molecular Weight (Monoisotopic) | 594.4496 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Annoreticuin-9-One |
| Smiles | CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCCCCC(=O)CCCCC(O)CC2=CC(C)OC2=O)O1 |
| Inchi | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27?,30?,31-,32-,33-,34-/m0/s1 |
| Inchi Key | QCICHLFBIUXRKT-YJWYFJGCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.89 |
| Records Key | ['3'] |
| Records Name | ['annoreticuin-9-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
