Decyl butyrate
| Internal ID | eaa4aaf8-f15a-4f56-ba8a-fe080537f7e9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | decyl butanoate |
| SMILES (Canonical) | CCCCCCCCCCOC(=O)CCC |
| SMILES (Isomeric) | CCCCCCCCCCOC(=O)CCC |
| InChI | InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3 |
| InChI Key | PUCQHFICPFUPKW-UHFFFAOYSA-N |
| Popularity | 35 references in papers |
| Molecular Formula | C14H28O2 |
| Molecular Weight | 228.37 g/mol |
| Exact Mass | 228.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.30 |
| Decyl butanoate |
| Butanoic acid, decyl ester |
| Butyric acid, decyl ester |
| 5454-09-1 |
| n-Decyl butanoate |
| ENT 30734 |
| 454-09-1 |
| FEMA No. 2368 |
| NSC-23061 |
| 5092J5M42W |
| 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 | 95.89% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.05% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.01% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.15% | 85.94% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 87.79% | 89.92% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.05% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.63% | 91.81% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.33% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.51% | 87.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.09% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.57% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.53% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.46% | 90.17% |
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 | 229387 |
| LOTUS | LTS0168306 |
| wikiData | Q27260773 |