(E)-2-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
| Internal ID | 64e035fb-c1ea-403a-927c-87ddc572a66a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | (E)-2-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H14O4/c17-14-7-6-12(10-15(14)18)9-13(16(19)20)8-11-4-2-1-3-5-11/h1-7,9-10,17-18H,8H2,(H,19,20)/b13-9+ |
| InChI Key | UKMQPAVOMGJJDJ-UKTHLTGXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.23% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.28% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.07% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.64% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.82% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.86% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.15% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.65% | 94.62% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.49% | 93.81% |
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 tremuloides |
| PubChem | 141741571 |
| LOTUS | LTS0063825 |
| wikiData | Q105274691 |