Methyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate
| Internal ID | bb6b4a60-0d4a-4f65-8114-0031677a38d5 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate |
| SMILES (Canonical) | COC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
| SMILES (Isomeric) | COC(=O)CC(C1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
| InChI | InChI=1S/C19H18O8/c1-26-19(25)10-17(12-4-6-14(21)16(23)9-12)27-18(24)7-3-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3 |
| InChI Key | OSDXSOSJRPQCHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O8 |
| Molecular Weight | 374.30 g/mol |
| Exact Mass | 374.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of Methyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-34-dihydroxyphenyl-3-3-34-dihydroxyphenylprop-2-enoyloxypropanoate.jpg "2D Structure of Methyl 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.22% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.10% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.00% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.82% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.44% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.62% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.13% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.19% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.69% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.02% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.25% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.37% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.18% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.79% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.19% | 100.00% |
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.
| Isodon excisus |
| Perilla frutescens |
| PubChem | 73809375 |
| LOTUS | LTS0199479 |
| wikiData | Q105198813 |