Ethyl 3-(3,4-dihydroxyphenyl)-2-[6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate
| Internal ID | 13e6e8a6-3a3a-4aad-8901-6c848bf4de2a |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | ethyl 3-(3,4-dihydroxyphenyl)-2-[6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate |
| SMILES (Canonical) | CCOC(=O)C(=CC1=CC(=C(C=C1)O)O)C2=C(C=C(OC2=O)C=CC3=CC(=C(C=C3)O)O)O |
| SMILES (Isomeric) | CCOC(=O)C(=CC1=CC(=C(C=C1)O)O)C2=C(C=C(OC2=O)C=CC3=CC(=C(C=C3)O)O)O |
| InChI | InChI=1S/C24H20O9/c1-2-32-23(30)16(9-14-5-8-18(26)20(28)11-14)22-21(29)12-15(33-24(22)31)6-3-13-4-7-17(25)19(27)10-13/h3-12,25-29H,2H2,1H3 |
| InChI Key | ILJIUGHJNCYQIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O9 |
| Molecular Weight | 452.40 g/mol |
| Exact Mass | 452.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of Ethyl 3-(3,4-dihydroxyphenyl)-2-[6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/a5b67d40-857b-11ee-9044-bf5ef9d90c42.jpg "2D Structure of Ethyl 3-(3,4-dihydroxyphenyl)-2-[6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate")
| 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 | 98.61% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.46% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.21% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.51% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.29% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.45% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.38% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.33% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.21% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.03% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.80% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.28% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.26% | 91.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.55% | 80.78% |
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.
| Daphne oleoides |
| PubChem | 76214571 |
| LOTUS | LTS0034620 |
| wikiData | Q105223209 |