Ethyl valerate
| Internal ID | a10419c7-5cbd-4ddd-9936-e0d367ab4f65 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | ethyl pentanoate |
| SMILES (Canonical) | CCCCC(=O)OCC |
| SMILES (Isomeric) | CCCCC(=O)OCC |
| InChI | InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 |
| InChI Key | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Popularity | 299 references in papers |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 g/mol |
| Exact Mass | 130.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.90 |
| ETHYL VALERATE |
| 539-82-2 |
| Pentanoic acid, ethyl ester |
| Ethyl n-valerate |
| Valeric acid, ethyl ester |
| Ethylvalerate |
| Ethyl valerianate |
| Pentanoic acid ethyl ester |
| n-Valeric acid ethyl ester |
| FEMA No. 2462 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.76% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.88% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.45% | 97.21% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.14% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.29% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.20% | 92.50% |
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.
| Ananas comosus |
| Heracleum dissectum |
| Nepeta nepetella |
| Polygala senega |
| Pyrus pyrifolia |
| PubChem | 10882 |
| LOTUS | LTS0243302 |
| wikiData | Q1193173 |