Undecan-2-yl 3-methylbutanoate
| Internal ID | 2e7db125-e917-4ee8-8735-c1b191506129 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | undecan-2-yl 3-methylbutanoate |
| SMILES (Canonical) | CCCCCCCCCC(C)OC(=O)CC(C)C |
| SMILES (Isomeric) | CCCCCCCCCC(C)OC(=O)CC(C)C |
| InChI | InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-15(4)18-16(17)13-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChI Key | FTEKFYMYZDEZOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H32O2 |
| Molecular Weight | 256.42 g/mol |
| Exact Mass | 256.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.34% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.88% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.74% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.93% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.33% | 83.82% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.86% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.29% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.93% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.69% | 97.21% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.08% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.34% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.89% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.55% | 92.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.25% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.80% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.25% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.06% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.64% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.32% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.42% | 98.03% |
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.
| Ruta graveolens |
| PubChem | 162951473 |
| LOTUS | LTS0103109 |
| wikiData | Q105001004 |