2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid
| Internal ID | c424ccc8-ab28-4edc-9f58-836810fb15cd |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)C(CC(=O)O)(C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)C(CC(=O)O)(C(=O)O)O)O)O |
| InChI | InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-10(16)13(21,12(19)20)6-11(17)18/h1-5,14-15,21H,6H2,(H,17,18)(H,19,20)/b4-2+ |
| InChI Key | NHYPUVOSYZUDMG-DUXPYHPUSA-N |
| Popularity | 43 references in papers |
| Molecular Formula | C13H12O8 |
| Molecular Weight | 296.23 g/mol |
| Exact Mass | 296.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-e-3-34-dihydroxyphenylprop-2-enoyl-2-hydroxybutanedioic-acid.jpg "2D Structure of 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic 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 | 98.54% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.77% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.36% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.45% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 90.63% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.32% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.99% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.89% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.67% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.35% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.29% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.73% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.36% | 80.78% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.11% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.09% | 94.73% |
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.
| Ballota nigra |
| Isodon rubescens |
| Marrubium velutinum |
| Urtica dioica |
| PubChem | 14707056 |
| LOTUS | LTS0088579 |
| wikiData | Q104667394 |