3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
| Internal ID | e5a177bf-18bf-4ee5-9936-975c5d6d03ea |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O |
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)2-6-18(25)26-16(9-17(23)24)11-3-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,23,24) |
| InChI Key | GAQXTAWZNDSRDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenyl-3-3-34-dihydroxyphenylprop-2-enoyloxypropanoic-acid.jpg "2D Structure of 3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic 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 | 99.39% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.32% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.74% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.80% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 92.02% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.74% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.40% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.38% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.69% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.15% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.37% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.33% | 83.82% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.49% | 94.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.05% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.48% | 90.17% |
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.
| Nepeta caesarea |
| Perilla frutescens |
| Thymus bashkiriensis |
| PubChem | 77583661 |
| LOTUS | LTS0181102 |
| wikiData | Q105005586 |