3-Methylpent-2-enoic acid
| Internal ID | d98558a2-d7da-45cc-ab24-9bbb6b2666e3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids > Methyl-branched fatty acids |
| IUPAC Name | 3-methylpent-2-enoic acid |
| SMILES (Canonical) | CCC(=CC(=O)O)C |
| SMILES (Isomeric) | CCC(=CC(=O)O)C |
| InChI | InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8) |
| InChI Key | RSFQOQOSOMBPEJ-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.14 g/mol |
| Exact Mass | 114.068079557 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.70 |
| NoName_61 |
| 3-Methyl-pent-2-enoic acid |
| DTXSID50901013 |
| AKOS033816387 |
| 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 | 88.48% | 96.09% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.44% | 91.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.62% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.84% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.48% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.07% | 83.82% |
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.
| Senecio squalidus |
| PubChem | 220740 |
| LOTUS | LTS0100272 |
| wikiData | Q105244617 |