Methyl 2,3-dimethylbutanoate
| Internal ID | b27514c0-3f82-4163-aee1-3951a7050a87 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl 2,3-dimethylbutanoate |
| SMILES (Canonical) | CC(C)C(C)C(=O)OC |
| SMILES (Isomeric) | CC(C)C(C)C(=O)OC |
| InChI | InChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3 |
| InChI Key | YLXGEYQXFJAIBQ-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 g/mol |
| Exact Mass | 130.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.00 |
| 30540-29-5 |
| 2,3-Dimethylbutanoic acid methyl ester |
| Butyric acid, 2,3-dimethyl-, methyl ester |
| Butanoic acid, 2,3-dimethyl-, methyl ester |
| 2,3-dimethyl-butanoic acid methyl ester |
| Methyl2,3-dimethylbutanoate |
| SCHEMBL2159081 |
| Methyl 2,3-dimethylbutanoate # |
| YLXGEYQXFJAIBQ-UHFFFAOYSA-N |
| AKOS013349580 |
| 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 | 92.34% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.78% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.78% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.57% | 94.33% |
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.
| There are no matching plants. |
| PubChem | 520482 |
| LOTUS | LTS0128669 |
| wikiData | Q105350366 |