5-Methylhexanoic acid
| Internal ID | bbaf83d1-e07f-4442-9486-2bc3a112511a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 5-methylhexanoic acid |
| SMILES (Canonical) | CC(C)CCCC(=O)O |
| SMILES (Isomeric) | CC(C)CCCC(=O)O |
| InChI | InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChI Key | MHPUGCYGQWGLJL-UHFFFAOYSA-N |
| Popularity | 58 references in papers |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 g/mol |
| Exact Mass | 130.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.20 |
| 628-46-6 |
| Isoheptanoic acid |
| Isoenanthic acid |
| 5-Methylcaproic acid |
| Isoamylacetic acid |
| Hexanoic acid, 5-methyl- |
| Isovenanthic acid |
| 5-methyl-hexanoic acid |
| 5-Methyl hexanoic acid |
| 5-Methylhexylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.10% | 99.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.47% | 92.26% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.54% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.61% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.96% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.34% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.64% | 93.31% |
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.
| Juglans nigra |
| Nepeta racemosa |
| Salvia dorisiana |
| Solanum pennellii |
| Thymus longicaulis |
| PubChem | 12344 |
| LOTUS | LTS0092462 |
| wikiData | Q27284388 |