3-Hexenyl 2-methylbutyrate
| Internal ID | 15cb080e-ebb0-4976-8f4d-d4549b5a20d9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | hex-3-enyl 2-methylbutanoate |
| SMILES (Canonical) | CCC=CCCOC(=O)C(C)CC |
| SMILES (Isomeric) | CCC=CCCOC(=O)C(C)CC |
| InChI | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChI Key | JKKGTSUICJWEKB-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.27 g/mol |
| Exact Mass | 184.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.30 |
| Hex-3-enyl 2-methylbutanoate |
| hex-3-en-1-yl 2-methylbutanoate |
| Butanoic acid, 2-methyl-, 3-hexenyl ester |
| Butanoic acid, 2-methyl-, 3-hexen-1-yl ester |
| 3-Hexenyl 2-methylbutanoate |
| 10094-41-4 |
| Hex-3-enyl 2-methylbutyrate |
| MFCD00036530 |
| Butyric acid, 2-methyl-, 3-hexenyl ester |
| DTXSID50860656 |
| 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 | 94.74% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.20% | 87.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.78% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.20% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.28% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.85% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.71% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.65% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.43% | 96.47% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 80.61% | 89.92% |
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.
| Chrysanthemum morifolium |
| PubChem | 61467 |
| LOTUS | LTS0211371 |
| wikiData | Q82854357 |