Ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate
| Internal ID | 21522eb4-1b1a-4b96-bf16-21abbf7243c3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
| IUPAC Name | ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3 |
| InChI Key | HPJJCRNQEWRFQW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of Ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ethyl-4-3-34-dihydroxyphenylprop-2-enoyloxy-135-trihydroxycyclohexane-1-carboxylate.jpg "2D Structure of Ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate")
| 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 | 99.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.27% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.91% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.64% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.22% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.60% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.41% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.17% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.11% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.08% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.14% | 96.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.38% | 85.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.86% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.96% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 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.
| Haplopteris anguste-elongata |
| PubChem | 75069393 |
| LOTUS | LTS0031386 |
| wikiData | Q105031732 |