Methyl 2-methylhexadecanoate
| Internal ID | 425cd051-978d-4cc5-a636-a045524cd35a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl 2-methylhexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(C)C(=O)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(C)C(=O)OC |
| InChI | InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3 |
| InChI Key | OAMQXAKDCJRWHE-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H36O2 |
| Molecular Weight | 284.50 g/mol |
| Exact Mass | 284.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.00 |
| 2490-53-1 |
| Hexadecanoic acid, 2-methyl-, methyl ester |
| DL-alpha-Methylpalmitic acid methyl ester |
| Methyl 2-methylpalmitate |
| methyl 2-methylhexadeca-noate |
| SCHEMBL5483760 |
| DTXSID30947792 |
| OAMQXAKDCJRWHE-UHFFFAOYSA-N |
| M-4284 |
| 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 | 96.76% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.59% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.94% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.43% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.16% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.40% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.96% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.11% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.86% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.57% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.40% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.84% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.32% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.20% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.71% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.24% | 90.71% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.63% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.44% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.28% | 92.08% |
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.
| Allium ampeloprasum |
| PubChem | 94236 |
| LOTUS | LTS0073610 |
| wikiData | Q82925614 |