(2R)-3-(3,4-dihydroxyphenyl)-2-((Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxypropanoic acid
| Internal ID | f875c47b-70ed-4019-ac63-240d5b9c6caf |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3-/t16-/m1/s1 |
| InChI Key | DOUMFZQKYFQNTF-QQNRWZHASA-N |
| Popularity | 4 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 | 2.40 |
| (2R)-3-(3,4-dihydroxyphenyl)-2-((Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxypropanoic acid |
| (2R)-3-(3,4-DIHYDROXYPHENYL)-2-{[3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}PROPANOIC ACID |
| EBC-221132 |
| (2r)-3-(3,4-dihydroxyphenyl)-2-[(z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2392 | P06746 | DNA polymerase beta |
223.9 nM |
Potency |
via Super-PRED
|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase |
631 nM |
Potency |
via Super-PRED
|
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
25.1 nM |
Potency |
via Super-PRED
|
| CHEMBL1075138 | Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 |
891.3 nM 223.9 nM |
Potency Potency |
via Super-PRED
via Super-PRED |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.69% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.33% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.20% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.01% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 92.66% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.41% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.23% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.95% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.66% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.08% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.53% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.43% | 91.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.75% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 9841799 |
| LOTUS | LTS0090915 |
| wikiData | Q104986210 |