3-Methylhexadec-2-enyl 10,12,15-trimethylhexadecanoate
| Internal ID | a9457ad7-6cea-4376-af33-8b53828be7ba |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | 3-methylhexadec-2-enyl 10,12,15-trimethylhexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=CCOC(=O)CCCCCCCCC(C)CC(C)CCC(C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=CCOC(=O)CCCCCCCCC(C)CC(C)CCC(C)C)C |
| InChI | InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-18-21-24-33(4)29-30-38-36(37)26-23-20-17-16-19-22-25-34(5)31-35(6)28-27-32(2)3/h29,32,34-35H,7-28,30-31H2,1-6H3 |
| InChI Key | NTDKTEVRSWDPFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H70O2 |
| Molecular Weight | 534.90 g/mol |
| Exact Mass | 534.53758147 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 16.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.90% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.02% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.69% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.31% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.91% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.83% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.87% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.87% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.67% | 92.12% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.18% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.59% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.31% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.19% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.69% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.20% | 91.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.87% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.44% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.67% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.28% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.00% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.63% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.57% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.97% | 85.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.81% | 97.79% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.43% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.34% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.14% | 96.90% |
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.
| Bridelia balansae |
| PubChem | 163093200 |
| LOTUS | LTS0095259 |
| wikiData | Q105185388 |