4-Methylpentanoic acid
| Internal ID | 96316f23-13c0-4562-a66c-a4e815548743 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids > Methyl-branched fatty acids |
| IUPAC Name | 4-methylpentanoic acid |
| SMILES (Canonical) | CC(C)CCC(=O)O |
| SMILES (Isomeric) | CC(C)CCC(=O)O |
| InChI | InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Popularity | 491 references in papers |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.16 g/mol |
| Exact Mass | 116.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.40 |
| 4-Methylvaleric acid |
| Isocaproic acid |
| 646-07-1 |
| Isohexanoic acid |
| Pentanoic acid, 4-methyl- |
| Isobutylacetic acid |
| 4-methyl-pentanoic acid |
| Valeric acid, 4-methyl- |
| 4-METHYL VALERIC ACID |
| 4-Methyl-n-valeric 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.27% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.95% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.85% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.76% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.81% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.00% | 93.56% |
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.
| Amorphophallus elatus |
| Capsicum annuum |
| Pelargonium graveolens |
| PubChem | 12587 |
| LOTUS | LTS0050086 |
| wikiData | Q19597905 |