[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl] (E)-octadec-2-enoate
| Internal ID | a1ca8e59-4628-4fc0-85b2-a17a6a9c8669 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Diradylglycerols > 1-alkyl,3-acylglycerols |
| IUPAC Name | [(2R)-2-hydroxy-3-(3-methylbutoxy)propyl] (E)-octadec-2-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC=CC(=O)OCC(COCCC(C)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC/C=C/C(=O)OC[C@@H](COCCC(C)C)O |
| InChI | InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)30-23-25(27)22-29-21-20-24(2)3/h18-19,24-25,27H,4-17,20-23H2,1-3H3/b19-18+/t25-/m1/s1 |
| InChI Key | HLPZZZJXJPXFIM-GKUCLKHTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H50O4 |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-hydroxy-3-(3-methylbutoxy)propyl] (E)-octadec-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-3-3-methylbutoxypropyl-e-octadec-2-enoate.jpg "2D Structure of [(2R)-2-hydroxy-3-(3-methylbutoxy)propyl] (E)-octadec-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.93% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.03% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.79% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.87% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.40% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.04% | 89.34% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.23% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.16% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.05% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.51% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.78% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.46% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.51% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.41% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.80% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.30% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.13% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.28% | 94.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.96% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.66% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.48% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.92% | 90.71% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.04% | 86.67% |
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.
| Punica granatum |
| PubChem | 163190958 |
| LOTUS | LTS0155328 |
| wikiData | Q105030260 |