Butyl laurate
| Internal ID | 86b502fe-d879-4f16-875e-224f83bf2683 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | butyl dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OCCCC |
| InChI | InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3 |
| InChI Key | NDKYEUQMPZIGFN-UHFFFAOYSA-N |
| Popularity | 58 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 | 6.50 |
| Butyl dodecanoate |
| 106-18-3 |
| DODECANOIC ACID, BUTYL ESTER |
| n-Butyl laurate |
| Lauric acid, butyl ester |
| Lauric acid n-butyl ester |
| Bytyl laurate |
| Butyl dodecylate |
| Lauric acid butyl ester |
| FEMA No. 2206 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.18% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.65% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.98% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.50% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.95% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.14% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.27% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.72% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.76% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.64% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.41% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.06% | 97.79% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.67% | 87.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.00% | 91.11% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.92% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.27% | 94.33% |
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.
| Mandragora officinarum |
| PubChem | 61015 |
| LOTUS | LTS0083034 |
| wikiData | Q27253736 |