Propyl octadeca-9,12-dienoate
| Internal ID | c1f6c08a-5d74-488e-8d43-2a5718973e9d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | propyl octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OCCC |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OCCC |
| InChI | InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h8-9,11-12H,3-7,10,13-20H2,1-2H3 |
| InChI Key | AJAMRCUNWLZBDF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H38O2 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.80 |
| propyl octadeca-9,12-dienoate |
| DTXSID10705635 |
| 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 | 98.44% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.99% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.71% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.38% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.06% | 97.29% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 87.51% | 90.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.56% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.02% | 97.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.65% | 91.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.41% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.57% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.47% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.44% | 92.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.26% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.11% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.39% | 96.95% |
| PubChem | 53645533 |
| LOTUS | LTS0185171 |
| wikiData | Q82638578 |