2,2-Dimethylbutyric acid
| Internal ID | 876049c7-0101-4ef8-af13-701323db6130 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids > Methyl-branched fatty acids |
| IUPAC Name | 2,2-dimethylbutanoic acid |
| SMILES (Canonical) | CCC(C)(C)C(=O)O |
| SMILES (Isomeric) | CCC(C)(C)C(=O)O |
| InChI | InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8) |
| InChI Key | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
| Popularity | 88 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 | 1.50 |
| 2,2-Dimethylbutanoic acid |
| 595-37-9 |
| Butanoic acid, 2,2-dimethyl- |
| 2,2-dimethyl-butyric acid |
| 2,2-dimethyl-butanoic acid |
| Dimebutic Acid |
| 2,2-Dimethyl butanoic acid |
| Butyric acid, 2,2-dimethyl- |
| CHEBI:38649 |
| dimethyl ethyl acetic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.04% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.14% | 97.25% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.31% | 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.
| Vitis vinifera |
| PubChem | 11684 |
| LOTUS | LTS0190426 |
| wikiData | Q27117928 |