Bioactive Compound Details
| BioID | bio2670 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL552301 |
| Molecular Formula | C25H40O7S |
| Molecular Weight | 484.66 |
| Molecular Weight (Monoisotopic) | 484.2495 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 25-Hydroxyhalisulfate 9 |
| Smiles | C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CCC(CCCC1=CC(=O)OC1O)COS(=O)(=O)O |
| Inchi | InChI=1S/C25H40O7S/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30)/t17-,18?,20-,23?,25-/m0/s1 |
| Inchi Key | UTGHYWBAVNHHJG-TYMBNJMISA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 3.31 |
| Records Key | ['5'] |
| Records Name | ['25-hydroxyhalisulfate 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
