(2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
| Internal ID | 81971952-8e4a-4bfe-b5d8-f86e5d76e4b4 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | (2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)O[C@@H]([C@@H](C(=O)O)O)C(=O)O)O |
| InChI | InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11-/m0/s1 |
| InChI Key | INYJZRKTYXTZHP-LUSJXZINSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H12O8 |
| Molecular Weight | 296.23 g/mol |
| Exact Mass | 296.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s-2-hydroxy-3-e-3-4-hydroxyphenylprop-2-enoyloxybutanedioic-acid.jpg "2D Structure of (2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 94.80% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.69% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.21% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.59% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.96% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.45% | 94.45% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.22% | 97.53% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.09% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.41% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.02% | 98.95% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.32% | 94.97% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.17% | 93.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.31% | 89.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.22% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.04% | 94.08% |
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 | 101916176 |
| LOTUS | LTS0125398 |
| wikiData | Q104392955 |