methyl (Z)-3-hexenoate
| Internal ID | 9a29e450-7e20-44f7-bff1-72e152d458a5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (Z)-hex-3-enoate |
| SMILES (Canonical) | CCC=CCC(=O)OC |
| SMILES (Isomeric) | CC/C=C\CC(=O)OC |
| InChI | InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4- |
| InChI Key | XEAIHUDTEINXFG-PLNGDYQASA-N |
| Popularity | 23 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 | 1.50 |
| Methyl cis-3-hexenoate |
| 13894-62-7 |
| Methyl 3-hexenoate, (3Z)- |
| methyl (Z)-hex-3-enoate |
| 3-Hexenoic acid, methyl ester, (Z)- |
| 3-Hexenoic acid, methyl ester, (3Z)- |
| (Z)-3-Hexenoic acid methyl ester |
| FEMA no. 4164 |
| Methyl cis-3-hexenoate [FHFI] |
| FEMA no. 3364, Z- |
| 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 | 93.68% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.16% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.78% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.50% | 89.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.22% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.84% | 91.11% |
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.
| Ananas comosus |
| Nicotiana tabacum |
| PubChem | 5362819 |
| LOTUS | LTS0102311 |
| wikiData | Q27256619 |