Isopropyl valerate
| Internal ID | 391deb1e-acfd-448c-a4a3-bda200996ac5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | propan-2-yl pentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3 |
| InChI Key | OCAIYHCKLADPEG-UHFFFAOYSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 g/mol |
| Exact Mass | 144.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.30 |
| propan-2-yl pentanoate |
| 18362-97-5 |
| Pentanoic acid, 1-methylethyl ester |
| Valeric acid, isopropyl ester |
| Isopropyl pentanoate |
| ISO-PROPYL-VALERATE |
| Pentanoic acid isopropyl ester |
| EINECS 242-235-3 |
| 2-n-propyl pentanoate |
| AI3-01974 |
| 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 | 94.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.74% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.24% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.35% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.63% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.46% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.92% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.14% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.75% | 87.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.38% | 97.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.16% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.96% | 97.25% |
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.
| There are no matching plants. |
| PubChem | 87598 |
| LOTUS | LTS0237198 |
| wikiData | Q63398250 |