[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
| Internal ID | 9ce6e84a-6563-4a8d-a130-cf535486471e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C |
| SMILES (Isomeric) | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)/CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C |
| InChI | InChI=1S/C38H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h8-9,11-12,14-15,32,34-36H,7,10,13,16-31,33H2,1-6H3/b9-8-,12-11-,15-14-,37-32+/t35-,36-/m0/s1 |
| InChI Key | QWDPHFMXASHCRF-LTOBNTBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H68O2 |
| Molecular Weight | 556.90 g/mol |
| Exact Mass | 556.52193141 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
![2D Structure of [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/e7s11s-371115-tetramethylhexadec-2-enyl-9z12z15z-octadeca-91215-trienoate.jpg "2D Structure of [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate")
| 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 | 97.75% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.62% | 98.95% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 90.97% | 90.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.59% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.67% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.68% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.59% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.16% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.76% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.37% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.14% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.01% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.18% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.09% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.64% | 92.86% |
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.
| Fatsia japonica |
| PubChem | 162843857 |
| LOTUS | LTS0042312 |
| wikiData | Q105229113 |