methyl (9Z,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate
| Internal ID | 86e1562a-fb08-4875-bc54-9e2f36499066 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | methyl (9Z,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H36O4/c1-4-5-13-16-20(25-19(2)22)17-14-11-9-7-6-8-10-12-15-18-21(23)24-3/h9,11,14,17,20H,4-8,10,12-13,15-16,18H2,1-3H3/b11-9-,17-14+/t20-/m0/s1 |
| InChI Key | FVCFYYSXQUEISL-NLGUUUQVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H36O4 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.86% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.44% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.05% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.10% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.09% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.49% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.02% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.64% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.57% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.12% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.28% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.74% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.38% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.06% | 92.86% |
| CHEMBL240 | Q12809 | HERG | 85.74% | 89.76% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.48% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.38% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.35% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.35% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.61% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.92% | 95.93% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 82.62% | 92.12% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.35% | 96.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.02% | 95.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.34% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.95% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.68% | 85.94% |
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.
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| There are no matching plants. |
| PubChem | 162889134 |
| LOTUS | LTS0070397 |
| wikiData | Q105002258 |