methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]propanoate
| Internal ID | e3d88dd3-1d81-4630-9d52-80f961f10217 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]propanoate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=CC(=O)OC(CC2=CC(=C(C=C2)O)O)C(=O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C=CC(=O)O[C@H](CC2=CC(=C(C=C2)O)O)C(=O)OC)O |
| InChI | InChI=1S/C20H20O8/c1-26-17-7-4-12(9-16(17)23)5-8-19(24)28-18(20(25)27-2)11-13-3-6-14(21)15(22)10-13/h3-10,18,21-23H,11H2,1-2H3/t18-/m1/s1 |
| InChI Key | TUYFFOLCPXHZKL-GOSISDBHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20O8 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2r-3-34-dihydroxyphenyl-2-3-3-hydroxy-4-methoxyphenylprop-2-enoyloxypropanoate.jpg "2D Structure of methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.98% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.31% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.81% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.48% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.16% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.55% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.64% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 86.55% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.58% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.20% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.98% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
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.
| Glechoma hederacea |
| PubChem | 162995127 |
| LOTUS | LTS0040708 |
| wikiData | Q105265113 |