Ethyl octadecadienoate
| Internal ID | 45d39778-1344-4884-8a9f-2af669f5ad6a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | ethyl octadeca-2,4-dienoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC=CC=CC(=O)OCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCC=CC=CC(=O)OCC |
| InChI | InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h16-19H,3-15H2,1-2H3 |
| InChI Key | YQTHWRFQZQKWQF-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.33% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.03% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.19% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.62% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.13% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.09% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.99% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.94% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.85% | 98.95% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 86.70% | 86.67% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.06% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.19% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.15% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.26% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.26% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.04% | 94.33% |
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.
| Allium ampeloprasum |
| PubChem | 54522427 |
| LOTUS | LTS0116789 |
| wikiData | Q105352569 |