p-Coumaroyltartaric acid
| Internal ID | 74fb6c0a-7618-46fb-a670-e2f1a7f10395 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2,3-dihydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]butanedioic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)C(C(C(=O)O)O)(C(=O)O)O)O |
| InChI | InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)13(21,12(19)20)10(16)11(17)18/h1-6,10,14,16,21H,(H,17,18)(H,19,20)/b6-3+ |
| InChI Key | LWROVTMVBSWNIL-ZZXKWVIFSA-N |
| Popularity | 42 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 | -0.40 |
| There are no found synonyms. |
| 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 | 93.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.98% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.22% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.76% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.75% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.49% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 86.32% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.36% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.42% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.63% | 94.08% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.49% | 90.93% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.97% | 89.62% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.46% | 94.97% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.41% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.06% | 96.09% |
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 | 129663976 |
| LOTUS | LTS0200934 |
| wikiData | Q105158528 |