[(1R)-1-[(2R,4S,5S)-4-hydroxy-5-pentyloxolan-2-yl]dec-9-enyl] hexadecanoate
| Internal ID | 9e71b1a8-0130-4232-aecc-0c85c005e926 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(1R)-1-[(2R,4S,5S)-4-hydroxy-5-pentyloxolan-2-yl]dec-9-enyl] hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC=C)C1CC(C(O1)CCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCC=C)[C@H]1C[C@@H]([C@@H](O1)CCCCC)O |
| InChI | InChI=1S/C35H66O4/c1-4-7-10-12-14-15-16-17-18-19-21-23-26-29-35(37)39-33(28-25-22-20-13-11-8-5-2)34-30-31(36)32(38-34)27-24-9-6-3/h5,31-34,36H,2,4,6-30H2,1,3H3/t31-,32-,33+,34+/m0/s1 |
| InChI Key | PEVUYXQYPKFUJI-PSWJWLENSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H66O4 |
| Molecular Weight | 550.90 g/mol |
| Exact Mass | 550.49611058 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 13.30 |
| There are no found synonyms. |
![2D Structure of [(1R)-1-[(2R,4S,5S)-4-hydroxy-5-pentyloxolan-2-yl]dec-9-enyl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-2r4s5s-4-hydroxy-5-pentyloxolan-2-yldec-9-enyl-hexadecanoate.jpg "2D Structure of [(1R)-1-[(2R,4S,5S)-4-hydroxy-5-pentyloxolan-2-yl]dec-9-enyl] hexadecanoate")
| 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 | 97.56% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.49% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.08% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.74% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.38% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.46% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.63% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.33% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.70% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.68% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.23% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.90% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.82% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.64% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.62% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.97% | 92.08% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.32% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.15% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.74% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.68% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.46% | 91.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.06% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.94% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.72% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.60% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.37% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.31% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.68% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.85% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.29% | 89.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.18% | 80.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.76% | 95.17% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.49% | 92.32% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.18% | 90.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.08% | 82.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.93% | 92.88% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.67% | 98.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.00% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 21597696 |
| LOTUS | LTS0161829 |
| wikiData | Q105207423 |