2-Hexenoic acid, methyl ester
| Internal ID | 9fa7392f-ea9a-48a0-9fa1-fd1f498f7886 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl hex-2-enoate |
| SMILES (Canonical) | CCCC=CC(=O)OC |
| SMILES (Isomeric) | CCCC=CC(=O)OC |
| InChI | InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3 |
| InChI Key | GFUGBRNILVVWIE-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.17 g/mol |
| Exact Mass | 128.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.90 |
| 2-Hexenoic acid, methyl ester |
| 2396-77-2 |
| Methyl beta-propylacrylate |
| MFCD00048798 |
| UNII-Q6M9281R5Y |
| FEMA No. 2709 |
| methyl hexaenoate |
| AI3-36590 |
| DTXSID2062375 |
| Q6M9281R5Y |
| 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 | 90.60% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.05% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.69% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.07% | 96.95% |
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.
| Annona muricata |
| Carica papaya |
| PubChem | 61310 |
| LOTUS | LTS0123156 |
| wikiData | Q72491174 |