[(2R)-2,3-dihydroxypropyl] (9Z,11E)-13-oxooctadeca-9,11-dienoate
| Internal ID | 2587609b-e0d4-4e8b-8037-013656fd51e9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | [(2R)-2,3-dihydroxypropyl] (9Z,11E)-13-oxooctadeca-9,11-dienoate |
| SMILES (Canonical) | CCCCCC(=O)C=CC=CCCCCCCCC(=O)OCC(CO)O |
| SMILES (Isomeric) | CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)OC[C@@H](CO)O |
| InChI | InChI=1S/C21H36O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-21(25)26-18-20(24)17-22/h7,9,12,15,20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3/b9-7-,15-12+/t20-/m1/s1 |
| InChI Key | BABFYBAGZXSUDH-ZHRNYRRNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O5 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(2R)-2,3-dihydroxypropyl] (9Z,11E)-13-oxooctadeca-9,11-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-23-dihydroxypropyl-9z11e-13-oxooctadeca-911-dienoate.jpg "2D Structure of [(2R)-2,3-dihydroxypropyl] (9Z,11E)-13-oxooctadeca-9,11-dienoate")
| 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 | 99.63% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.69% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.52% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.94% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.42% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.10% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.60% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.62% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.26% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.34% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.33% | 85.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.10% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.30% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.09% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.77% | 92.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.61% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.44% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.27% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.29% | 94.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.01% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.68% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.59% | 82.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.14% | 97.21% |
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.
| Glycine max |
| PubChem | 162927520 |
| LOTUS | LTS0110847 |
| wikiData | Q104922045 |