2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-4-methoxy-4-oxobutanoic acid
| Internal ID | a1ebe446-17c1-4e87-a14d-581182acd1dd |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-4-methoxy-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H18O9/c1-22-10-6-9(7-11(23-2)15(10)19)4-5-13(17)25-12(16(20)21)8-14(18)24-3/h4-7,12,19H,8H2,1-3H3,(H,20,21) |
| InChI Key | YAPSBOBZXRDEJO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 g/mol |
| Exact Mass | 354.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-4-methoxy-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-4-hydroxy-35-dimethoxyphenylprop-2-enoyloxy-4-methoxy-4-oxobutanoic-acid.jpg "2D Structure of 2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-4-methoxy-4-oxobutanoic 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.28% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.22% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.78% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.57% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.46% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.40% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.64% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.03% | 83.82% |
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 | 133052638 |
| LOTUS | LTS0212370 |
| wikiData | Q105345490 |