Cyclohexyl acetate
| Internal ID | 4b746c6f-030c-4ff9-8132-e374de621265 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | cyclohexyl acetate |
| SMILES (Canonical) | CC(=O)OC1CCCCC1 |
| SMILES (Isomeric) | CC(=O)OC1CCCCC1 |
| InChI | InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
| InChI Key | YYLLIJHXUHJATK-UHFFFAOYSA-N |
| Popularity | 185 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 | 1.90 |
| 622-45-7 |
| Acetic acid, cyclohexyl ester |
| Hexalin acetate |
| Cyclohexanyl acetate |
| Adronal acetate |
| Cyclohexanol, acetate |
| Cyclohexanolazetat |
| Acetic Acid Cyclohexyl Ester |
| Cyclohexane acetate |
| Cyclohexylester kyseliny octove |
| 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 | 94.31% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.95% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.15% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.51% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.59% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.07% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.30% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.24% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.74% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.46% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.05% | 95.50% |
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.
| Malus domestica |
| PubChem | 12146 |
| LOTUS | LTS0040087 |
| wikiData | Q2706345 |