D-Malic acid p-coumarate
| Internal ID | 807e2ded-c994-4e7a-a81f-2cf213cd74d5 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)/b6-3+ |
| InChI Key | QVPHNABUSKBIMG-ZZXKWVIFSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C13H12O7 |
| Molecular Weight | 280.23 g/mol |
| Exact Mass | 280.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.00 |
| CHEBI:139431 |
| 2-O-(trans-coumaroyl) malic 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 | 95.76% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.66% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.00% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.35% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.64% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.16% | 83.82% |
| CHEMBL3194 | P02766 | Transthyretin | 88.88% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.65% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.64% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.33% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.55% | 89.67% |
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.
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| There are no matching plants. |
| PubChem | 45359757 |
| LOTUS | LTS0084163 |
| wikiData | Q105228815 |