Isopropyl propionate
| Internal ID | 137d8719-11dd-4ab1-9a73-9ddc826b06c6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | propan-2-yl propanoate |
| SMILES (Canonical) | CCC(=O)OC(C)C |
| SMILES (Isomeric) | CCC(=O)OC(C)C |
| InChI | InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 |
| InChI Key | IJMWOMHMDSDKGK-UHFFFAOYSA-N |
| Popularity | 40 references in papers |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.16 g/mol |
| Exact Mass | 116.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.40 |
| 637-78-5 |
| Propanoic acid, 1-methylethyl ester |
| Isopropyl propanoate |
| propan-2-yl propanoate |
| Propionic Acid Isopropyl Ester |
| Propionic acid, isopropyl ester |
| 1-Methylethyl propanoate |
| FEMA No. 2959 |
| iso-Propyl propanoate |
| iso-Propyl n-propionate |
| 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 | 94.57% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.88% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.22% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.23% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.15% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.95% | 82.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.25% | 87.45% |
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.
| Fragaria × ananassa |
| PubChem | 12508 |
| LOTUS | LTS0197132 |
| wikiData | Q65225528 |