Bioactive Compound Details
| BioID | bio2423 |
|---|---|
| Name | SORBITAN TRIOLEATE |
| ChEMBL ID | CHEMBL3989778 |
| Molecular Formula | C60H108O8 |
| Molecular Weight | 957.52 |
| Molecular Weight (Monoisotopic) | 956.8044 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ANHYDROSORBITOL TRIOLEATE|SORBITAN TRIOLEATE|SORBITAN, TRI-9-OCTADECENOATE|SPAN-85|SPAN85|TRIOLEATE DE SORBITAN|TRIOLEATO DE SORBITAN |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC |
| Inchi | InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59+,60+/m0/s1 |
| Inchi Key | PRXRUNOAOLTIEF-ADSICKODSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.68 |
| Records Key | ['SORBITAN TRIOLEATE'] |
| Records Name | ['SORBITAN TRIOLEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
