Caffeic acid cinnamyl ester
| Internal ID | e344a38d-2823-4231-94f0-0fc3768ddd2e |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-phenylprop-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C=CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O |
| InChI | InChI=1S/C18H16O4/c19-16-10-8-15(13-17(16)20)9-11-18(21)22-12-4-7-14-5-2-1-3-6-14/h1-11,13,19-20H,12H2/b7-4?,11-9+ |
| InChI Key | GRZQNEYQRVPNRY-RLFYPJPUSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C18H16O4 |
| Molecular Weight | 296.30 g/mol |
| Exact Mass | 296.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.08% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.45% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.96% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.52% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.04% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.57% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 90.28% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.10% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.35% | 80.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.02% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.99% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.14% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.46% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.75% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.37% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.19% | 89.00% |
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 deltoides |
| Populus laurifolia |
| Populus violascens |
| PubChem | 129738065 |
| LOTUS | LTS0197388 |
| wikiData | Q105016899 |