| BioID | bio2820 |
|---|
| Name | SORBITAN MONOOLEATE |
|---|
| ChEMBL ID | CHEMBL1894187 |
|---|
| Molecular Formula | C24H44O6 |
|---|
| Molecular Weight | 428.61 |
|---|
| Molecular Weight (Monoisotopic) | 428.3138 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ANHYDROSORBITOL MONOOLEATE|E-494|INS NO.494|INS-494|NSC-406239|OLEATE DE SORBITAN|OLEATO DE SORBITAN|SORBITAN ESTERS SORBITAN OLEATE|SORBITAN MONO-OLEATE|SORBITAN MONO-OLETAE|SORBITAN MONOOLEATE|SORBITAN OLEATE|SORBITAN, MONO-9-OCTADECENOATE |
|---|
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O |
|---|
| Inchi | InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1 |
|---|
| Inchi Key | NWGKJDSIEKMTRX-AAZCQSIUSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 1.27 |
|---|
| Records Key | ['SID26757657', 'SORBITAN MONOOLEATE', 'SID144210707', 'SID144207088'] |
|---|
| Records Name | ['SID26757657', 'SORBITAN MONOOLEATE', 'SID144210707', 'SID144207088'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
