Undecan-2-yl 2-methylbutanoate
| Internal ID | b2b6662b-820e-4a40-93f7-57bddb279dd6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | undecan-2-yl 2-methylbutanoate |
| SMILES (Canonical) | CCCCCCCCCC(C)OC(=O)C(C)CC |
| SMILES (Isomeric) | CCCCCCCCCC(C)OC(=O)C(C)CC |
| InChI | InChI=1S/C16H32O2/c1-5-7-8-9-10-11-12-13-15(4)18-16(17)14(3)6-2/h14-15H,5-13H2,1-4H3 |
| InChI Key | DJBPWDZTKRFDAO-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 | 6.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.11% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.45% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.40% | 85.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.31% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.12% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.32% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.88% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.17% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.51% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.58% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.36% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.04% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.28% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.20% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.95% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.94% | 97.79% |
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 | 162916179 |
| LOTUS | LTS0127324 |
| wikiData | Q104981924 |