2,3-dihydroxypropyl (9Z)-octadec-9-enoate
| Internal ID | ea06694f-7c6e-4ee2-84a4-6280f123634a |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols |
| IUPAC Name | [(2R)-2,3-dihydroxypropyl] (E)-octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O |
| SMILES (Isomeric) | CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO)O |
| InChI | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m1/s1 |
| InChI Key | RZRNAYUHWVFMIP-SQUSKLHYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H40O4 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.50 |
| [(2R)-2,3-dihydroxypropyl] (E)-octadec-9-enoate |
| 9-Octadecenoic acid (9Z)-, (2S)-2,3-dihydroxypropyl ester |
| 135378-08-4 |
| 129784-87-8 |
| 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 | 98.69% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.25% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.17% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.25% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.98% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.91% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.88% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.43% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.26% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.48% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.39% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.35% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.25% | 97.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.94% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.27% | 91.19% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.45% | 87.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.20% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.85% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.48% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.23% | 94.45% |
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.
| PubChem | 25021708 |
| NPASS | NPC134612 |
| LOTUS | LTS0208238 |
| wikiData | Q105248563 |