3-methyloctadec-2-enyl (5R,9S)-5,9,12-trimethyltridecanoate
| Internal ID | e3fa141e-6ef4-43b3-a391-f79355a293d2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | 3-methyloctadec-2-enyl (5R,9S)-5,9,12-trimethyltridecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=CCOC(=O)CCCC(C)CCCC(C)CCC(C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=CCOC(=O)CCC[C@H](C)CCC[C@H](C)CCC(C)C)C |
| InChI | InChI=1S/C35H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34(6)29-30-37-35(36)26-21-25-32(4)23-20-24-33(5)28-27-31(2)3/h29,31-33H,7-28,30H2,1-6H3/t32-,33+/m1/s1 |
| InChI Key | NXYNTHCSPIVNNX-SAIUNTKASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H68O2 |
| Molecular Weight | 520.90 g/mol |
| Exact Mass | 520.52193141 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 15.50 |
| 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 | 97.34% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.82% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.41% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.16% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.47% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.54% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.67% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.56% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.39% | 92.12% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.75% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.29% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.48% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.73% | 96.47% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.42% | 89.34% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.05% | 87.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.91% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.54% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.35% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.15% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.09% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.24% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.57% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.56% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.38% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.22% | 97.79% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.10% | 93.31% |
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.
| Leucosceptrum canum |
| PubChem | 162981354 |
| LOTUS | LTS0169879 |
| wikiData | Q105187382 |