p-Hpea-eda
| Internal ID | 9177307b-280d-4856-9b2e-ed43d40c2c17 |
| Taxonomy | Benzenoids > Phenols > Tyrosols and derivatives |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl (E)-4-formyl-3-(2-oxoethyl)hex-4-enoate |
| SMILES (Canonical) | CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O |
| SMILES (Isomeric) | C/C=C(/C=O)\C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O |
| InChI | InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2- |
| InChI Key | VPOVFCBNUOUZGG-VVHNFQOZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 1.50 |
| Hyeda |
| (+/-)-Oleocanthal |
| Oleocanthal, (+/-)- |
| UNII-4BIE8LW022 |
| 4BIE8LW022 |
| 151194-92-2 |
| 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(4-hydroxyphenyl)ethyl ester |
| SCHEMBL2859732 |
| SCHEMBL2859736 |
| Ligstroside-aglycone di-aldehyde |
| 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 | 95.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.61% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.00% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.90% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.89% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.37% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.47% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.51% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.30% | 83.82% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.17% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.65% | 97.21% |
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.
| Olea europaea |
| PubChem | 16681728 |
| LOTUS | LTS0053363 |
| wikiData | Q27259377 |