Methyl 3-acetoxyhexanoate
| Internal ID | 001f33eb-0fea-452f-bb47-87a7985a4ecd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 3-acetyloxyhexanoate |
| SMILES (Canonical) | CCCC(CC(=O)OC)OC(=O)C |
| SMILES (Isomeric) | CCCC(CC(=O)OC)OC(=O)C |
| InChI | InChI=1S/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3 |
| InChI Key | ODICPWSNEYHYSJ-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.22 g/mol |
| Exact Mass | 188.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.30 |
| 21188-60-3 |
| methyl 3-acetyloxyhexanoate |
| HT9X9TG6PT |
| Hexanoic acid, 3-(acetyloxy)-, methyl ester |
| Hexanoic acid, 3-hydroxy-, methyl ester, acetate |
| 3-ACETOXYHEXANOIC ACID METHYL ESTER |
| UNII-HT9X9TG6PT |
| Methyl 3-acetoxy hexanoate |
| Methyl hexanoate, 3-acetoxy |
| SCHEMBL15945451 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.06% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.53% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.50% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.11% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.88% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.65% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.10% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.43% | 93.56% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.73% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.12% | 89.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.04% | 100.00% |
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.
| Ananas comosus |
| PubChem | 89463 |
| LOTUS | LTS0213724 |
| wikiData | Q82854989 |