9,11,13-Octadecatrienoic acid, methyl ester
| Internal ID | a37d03c9-2859-4df7-998e-69cda359805d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | methyl octadeca-9,11,13-trienoate |
| SMILES (Canonical) | CCCCC=CC=CC=CCCCCCCCC(=O)OC |
| SMILES (Isomeric) | CCCCC=CC=CC=CCCCCCCCC(=O)OC |
| InChI | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3 |
| InChI Key | KOJYENXGDXRGDK-UHFFFAOYSA-N |
| Popularity | 66 references in papers |
| Molecular Formula | C19H32O2 |
| Molecular Weight | 292.50 g/mol |
| Exact Mass | 292.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.70 |
| 21850-57-7 |
| DTXSID001259983 |
| PD049206 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.89% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.29% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.97% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.22% | 96.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.69% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.97% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.17% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.85% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.42% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.38% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.15% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.82% | 97.21% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.61% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.60% | 83.82% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.36% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.32% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Chrysobalanus icaco |
| PubChem | 27746 |
| LOTUS | LTS0104111 |
| wikiData | Q105143853 |