p-Coumaric acid cinnamyl ester
| Internal ID | d431e279-ea83-4504-80bf-0fd1f19a3ee0 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | 3-phenylprop-2-enyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=C(C=C2)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C=CCOC(=O)/C=C/C2=CC=C(C=C2)O |
| InChI | InChI=1S/C18H16O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-13,19H,14H2/b7-4?,13-10+ |
| InChI Key | JDBSEUVQZVQSCN-CTERGKHCSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H16O3 |
| Molecular Weight | 280.30 g/mol |
| Exact Mass | 280.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.27% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.91% | 91.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.29% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.78% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.63% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.45% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.19% | 89.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.84% | 94.23% |
| CHEMBL3194 | P02766 | Transthyretin | 84.22% | 90.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.98% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.91% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.35% | 95.50% |
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 deltoides |
| PubChem | 92017879 |
| LOTUS | LTS0132153 |
| wikiData | Q105125332 |