2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid
| Internal ID | 5dc61862-cc05-42bd-ad34-ccfff93a6c10 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)C(C(C(=O)O)O)(C(=O)O)O)O)O |
| InChI | InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)13(22,12(20)21)10(17)11(18)19/h1-5,10,14-15,17,22H,(H,18,19)(H,20,21)/b4-2+ |
| InChI Key | OTZBATZSFRLPQL-DUXPYHPUSA-N |
| Popularity | 110 references in papers |
| Molecular Formula | C13H12O9 |
| Molecular Weight | 312.23 g/mol |
| Exact Mass | 312.04813196 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | -0.80 |
| SCHEMBL20877203 |
![2D Structure of 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-e-3-34-dihydroxyphenylprop-2-enoyl-23-dihydroxybutanedioic-acid.jpg "2D Structure of 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid")
| 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 | 98.96% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.58% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.21% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 90.89% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.43% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.16% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.15% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.72% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.04% | 96.00% |
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.
| Cichorium intybus |
| Isodon rubescens |
| Taraxacum officinale |
| Vitis vinifera |
| PubChem | 18318655 |
| LOTUS | LTS0076388 |
| wikiData | Q105199947 |