[5-(1-Hydroxydec-9-enyl)-2-pentyloxolan-3-yl] icosa-5,8,11,14-tetraenoate
| Internal ID | 661f6280-a53f-45c2-a40c-12dada3f1505 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Other hydroxyeicosapolyenoic acids |
| IUPAC Name | [5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-yl] icosa-5,8,11,14-tetraenoate |
| SMILES (Canonical) | CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CC(OC1CCCCC)C(CCCCCCCC=C)O |
| SMILES (Isomeric) | CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CC(OC1CCCCC)C(CCCCCCCC=C)O |
| InChI | InChI=1S/C39H66O4/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-33-39(41)43-38-34-37(42-36(38)32-28-9-6-3)35(40)31-29-26-24-13-11-8-5-2/h5,14-15,17-18,20-21,23,25,35-38,40H,2,4,6-13,16,19,22,24,26-34H2,1,3H3 |
| InChI Key | PNOKQQPPAQVXES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H66O4 |
| Molecular Weight | 598.90 g/mol |
| Exact Mass | 598.49611058 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 12.50 |
| There are no found synonyms. |
![2D Structure of [5-(1-Hydroxydec-9-enyl)-2-pentyloxolan-3-yl] icosa-5,8,11,14-tetraenoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-1-hydroxydec-9-enyl-2-pentyloxolan-3-yl-icosa-581114-tetraenoate.jpg "2D Structure of [5-(1-Hydroxydec-9-enyl)-2-pentyloxolan-3-yl] icosa-5,8,11,14-tetraenoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.29% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.95% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.39% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.73% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.50% | 97.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.49% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.46% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.46% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.00% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.96% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.98% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.63% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.46% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.45% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.29% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.91% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.76% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.26% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.83% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.27% | 98.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.85% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.99% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.99% | 96.47% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.81% | 94.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.17% | 92.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.91% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.30% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.39% | 91.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74052260 |
| LOTUS | LTS0072013 |
| wikiData | Q105212077 |