2-(3,5-Dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 1d809975-593c-400b-a95b-eba40b678d77 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 2-(3,5-dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O |
| InChI | InChI=1S/C17H14O6/c18-13-7-12(8-14(19)10-13)5-6-23-17(22)4-2-11-1-3-15(20)16(21)9-11/h1-10,18-21H |
| InChI Key | FOWPKLFOIDTRMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.70 |
| 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 | 98.45% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.23% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.59% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.16% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.06% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.63% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.69% | 80.78% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.36% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.94% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.72% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.95% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.16% | 90.00% |
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.
| Perilla frutescens |
| Plectranthus crassus |
| PubChem | 78384838 |
| LOTUS | LTS0172102 |
| wikiData | Q104999005 |