(2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-4-methoxy-4-oxobutanoic acid
| Internal ID | f4eb59b8-f2ad-4dae-9ba9-49b079fd44ae |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-4-methoxy-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1 |
| InChI Key | CTGMCYNSUYQXFH-FVOPLDGLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H16O8 |
| Molecular Weight | 324.28 g/mol |
| Exact Mass | 324.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-4-methoxy-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-e-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxy-4-methoxy-4-oxobutanoic-acid.jpg "2D Structure of (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.07% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.95% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.78% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.58% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.32% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.37% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.43% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.01% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 87.10% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.96% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.04% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.27% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.73% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.10% | 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.
| There are no matching plants. |
| PubChem | 163188957 |
| LOTUS | LTS0121290 |
| wikiData | Q104969776 |