trans-3-Hexenyl acetate
| Internal ID | 5bac1a21-75b3-485b-ad5f-6ec4eed48aea |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(E)-hex-3-enyl] acetate |
| SMILES (Canonical) | CCC=CCCOC(=O)C |
| SMILES (Isomeric) | CC/C=C/CCOC(=O)C |
| InChI | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+ |
| InChI Key | NPFVOOAXDOBMCE-SNAWJCMRSA-N |
| Popularity | 129 references in papers |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.20 g/mol |
| Exact Mass | 142.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.90 |
| 3681-82-1 |
| [(E)-hex-3-enyl] acetate |
| 3E-Hexenyl acetate |
| 3-Hexen-1-ol, acetate, (E)- |
| (E)-3-Hexen-1-yl acetate |
| (E)-hex-3-en-1-yl acetate |
| (E)-3-Hexenyl acetate |
| (3E)-3-Hexenyl acetate |
| (E)-Hex-3-enyl acetate |
| 1708-82-3 |
| 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 | 93.27% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.44% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.36% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.82% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.56% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.00% | 89.34% |
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.
| Artemisia argyi |
| Artemisia montana |
| Artemisia princeps |
| Crataegus pinnatifida |
| Daucus carota |
| Lonicera japonica |
| Persicaria bistorta |
| PubChem | 5352557 |
| NPASS | NPC115632 |
| LOTUS | LTS0219084 |
| wikiData | Q27276882 |