2-[[(2R)-2-hydroxy-3-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]methyl]prop-2-enoic acid
| Internal ID | 8ce4a257-a183-44a0-b4e3-c1e6ff89fa34 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Diradylglycerols > 1-alkyl,3-acylglycerols |
| IUPAC Name | 2-[[(2R)-2-hydroxy-3-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]methyl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)33-23-25(28)22-32-21-24(2)27(30)31/h7-8,10-11,25,28H,2-6,9,12-23H2,1H3,(H,30,31)/b8-7+,11-10+/t25-/m1/s1 |
| InChI Key | QPYZRDNMEPOLSA-NPEQVYCOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H46O6 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 2-[[(2R)-2-hydroxy-3-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]methyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r-2-hydroxy-3-11e14e-icosa-1114-dienoyloxypropoxymethylprop-2-enoic-acid.jpg "2D Structure of 2-[[(2R)-2-hydroxy-3-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]methyl]prop-2-enoic acid")
| 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 | 98.96% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.41% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.88% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.85% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.02% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.66% | 97.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.20% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.73% | 86.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.52% | 97.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.41% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.68% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.20% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.78% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.73% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.34% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.25% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.82% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.50% | 98.03% |
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.
| There are no matching plants. |
| PubChem | 162964615 |
| LOTUS | LTS0092451 |
| wikiData | Q105225688 |