5-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid
| Internal ID | a44be6b1-8c73-46e2-8904-95a0e6c4b9a8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
| SMILES (Isomeric) | C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
| InChI | InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23) |
| InChI Key | QMPHZIPNNJOWQI-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C16H16O8 |
| Molecular Weight | 336.29 g/mol |
| Exact Mass | 336.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 0.20 |
| PD166604 |
| FT-0777780 |
![2D Structure of 5-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-34-dihydroxyphenylprop-2-enoyloxy-34-dihydroxycyclohexene-1-carboxylic-acid.jpg "2D Structure of 5-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic 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 | 99.42% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.79% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.43% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.95% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.30% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.17% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.19% | 91.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.03% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.77% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.86% | 89.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.65% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.33% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.21% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.66% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.69% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.13% | 97.09% |
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.
| Athyrium filix-femina |
| Equisetum arvense |
| Livistona chinensis |
| Phlomis brunneogaleata |
| Pteridium aquilinum |
| Sarcandra glabra |
| Smilax bracteata |
| Smilax corbularia |
| Smilax excelsa |
| Typha latifolia |
| PubChem | 4484226 |
| LOTUS | LTS0072581 |
| wikiData | Q105224098 |