Allyl valerate
| Internal ID | b32c447e-4f80-4924-a7f8-ab7eeafaff25 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | prop-2-enyl pentanoate |
| SMILES (Canonical) | CCCCC(=O)OCC=C |
| SMILES (Isomeric) | CCCCC(=O)OCC=C |
| InChI | InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3 |
| InChI Key | PWYXVVREDGESBB-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.20 g/mol |
| Exact Mass | 142.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.10 |
| Allyl pentanoate |
| 6321-45-5 |
| prop-2-enyl pentanoate |
| allyl n-valerate |
| Pentanoic acid, 2-propenyl ester |
| prop-2-en-1-yl pentanoate |
| YZV641464H |
| NSC-32631 |
| ALLYLN-VALERATE |
| Valeric acid allyl ester |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.37% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.46% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.91% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.59% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.77% | 91.19% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.77% | 92.51% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.52% | 85.94% |
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.
| Heracleum dissectum |
| PubChem | 80606 |
| LOTUS | LTS0021342 |
| wikiData | Q27294812 |