2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
| Internal ID | 6593a775-100e-4666-b242-1c8470ac0ebc |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | 2-phenylethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC=C(C=C1)CCOC(=O)C=CC2=CC=C(C=C2)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC=C(C=C2)O |
| InChI | InChI=1S/C17H16O3/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11,18H,12-13H2/b11-8+ |
| InChI Key | GUMNIDBFNHVRBD-DHZHZOJOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.31 g/mol |
| Exact Mass | 268.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.20 |
| 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- |
| CHEMBL1940390 |
| 2-phenylethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| 2-PHENYLETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE |
| 2-phenylethyl p-coumarate |
| SCHEMBL7377862 |
| BDBM50362851 |
| Phenethyl 3-(4-Hydroxyphenyl)Acrylate |
| AS-80022 |
| Phenethyl (E)-3-(4-hydroxyphenyl)acrylate |
| 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 |
|---|---|---|---|---|---|
| CHEMBL5983 | O60218 | Aldo-keto reductase family 1 member B10 |
69 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 98.24% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.65% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.42% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.22% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.63% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.00% | 90.17% |
| CHEMBL3194 | P02766 | Transthyretin | 85.23% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.25% | 96.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.10% | 100.00% |
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.
| Populus balsamifera |
| Populus tremuloides |
| PubChem | 14389411 |
| LOTUS | LTS0088480 |
| wikiData | Q105020273 |