Hexyl formate
| Internal ID | db5bc6bd-a290-44a3-8acf-e46628770e0f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | hexyl formate |
| SMILES (Canonical) | CCCCCCOC=O |
| SMILES (Isomeric) | CCCCCCOC=O |
| InChI | InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3 |
| InChI Key | OUGPMNMLWKSBRI-UHFFFAOYSA-N |
| Popularity | 46 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 | 2.50 |
| n-Hexyl formate |
| 629-33-4 |
| FORMIC ACID, HEXYL ESTER |
| n-Hexyl methanoate |
| Hexyl methanoate |
| Formic Acid Hexyl Ester |
| FEMA No. 2570 |
| Hexyl formiate |
| 9GPU7PGV1G |
| NSC-4780 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.53% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.70% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.66% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.78% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.27% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.88% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.59% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.85% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.04% | 90.24% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.08% | 92.86% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.97% | 80.78% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.86% | 87.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.52% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.22% | 93.31% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.21% | 86.67% |
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.
| Glycyrrhiza glabra |
| PubChem | 61177 |
| LOTUS | LTS0167214 |
| wikiData | Q3077504 |