methyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropanoate
| Internal ID | 3f7a9993-996d-4340-9b9a-18ad736592e3 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropanoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC(CC2=CC(=C(C=C2)O)O)C(=O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)OC(CC2=CC(=C(C=C2)O)O)C(=O)OC)O |
| InChI | InChI=1S/C20H20O8/c1-26-17-10-12(3-7-15(17)22)5-8-19(24)28-18(20(25)27-2)11-13-4-6-14(21)16(23)9-13/h3-10,18,21-23H,11H2,1-2H3/b8-5+ |
| InChI Key | TWMLXJLKCAFARM-VMPITWQZSA-N |
| Popularity | 0 references 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 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-34-dihydroxyphenyl-2-e-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxypropanoate.jpg "2D Structure of methyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropanoate")
| 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 | 98.67% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.82% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.72% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.80% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.37% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.14% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.65% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.29% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.16% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.14% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.05% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 86.05% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.14% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.76% | 90.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.58% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.05% | 91.19% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.58% | 90.24% |
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.
| Isodon oresbius |
| PubChem | 10548299 |
| LOTUS | LTS0201580 |
| wikiData | Q105265912 |