2-Hexenoic acid
| Internal ID | e4c72571-1c8f-4e43-8b46-425587b6aa69 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | hex-2-enoic acid |
| SMILES (Canonical) | CCCC=CC(=O)O |
| SMILES (Isomeric) | CCCC=CC(=O)O |
| InChI | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8) |
| InChI Key | NIONDZDPPYHYKY-UHFFFAOYSA-N |
| Popularity | 179 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 | 1.60 |
| hexaenoic acid |
| 2-hexenic acid |
| DTXSID5061588 |
| NIONDZDPPYHYKY-UHFFFAOYSA-N |
| BCP23189 |
| AKOS025243617 |
| FT-0604930 |
| FT-0612495 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.68% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.34% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.09% | 96.09% |
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.
| Clibadium eggersii |
| Deschampsia antarctica |
| Euphorbia tithymaloides |
| PubChem | 14486 |
| LOTUS | LTS0048853 |
| wikiData | Q27130883 |