2,3-dihydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid
| Internal ID | 829e7437-ee58-472a-a92b-bf1d86e68e4d |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2,3-dihydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)C(C(C(=O)O)O)(C(=O)O)O)O |
| InChI | InChI=1S/C14H14O9/c1-23-9-6-7(2-4-8(9)15)3-5-10(16)14(22,13(20)21)11(17)12(18)19/h2-6,11,15,17,22H,1H3,(H,18,19)(H,20,21)/b5-3+ |
| InChI Key | SQLYMDFELKLKFY-HWKANZROSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C14H14O9 |
| Molecular Weight | 326.25 g/mol |
| Exact Mass | 326.06378202 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 2,3-dihydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/23-dihydroxy-2-e-3-4-hydroxy-3-methoxyphenylprop-2-enoylbutanedioic-acid.jpg "2D Structure of 2,3-dihydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic 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 | 98.51% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.36% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.01% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.22% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.39% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 91.58% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.53% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.45% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.37% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.31% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.38% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.17% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.71% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.42% | 85.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.16% | 94.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.26% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.29% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.95% | 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.
| Vitis vinifera |
| PubChem | 18362373 |
| LOTUS | LTS0143156 |
| wikiData | Q105258085 |