Butyl 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
| Internal ID | 6b489f39-8c24-4b1e-8a63-4223e931590a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
| IUPAC Name | butyl 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O9/c1-3-4-9-29-20(26)21(27)11-15(23)19(16(24)12-21)30-18(25)8-6-13-5-7-14(22)17(10-13)28-2/h5-8,10,15-16,19,22-24,27H,3-4,9,11-12H2,1-2H3 |
| InChI Key | CFSGXVCRNZCANZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O9 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of Butyl 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/butyl-135-trihydroxy-4-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxycyclohexane-1-carboxylate.jpg "2D Structure of Butyl 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-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 | 99.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.03% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.33% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.07% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.45% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.40% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.86% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.38% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.67% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.85% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.03% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.99% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.34% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.22% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.77% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.36% | 92.62% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.21% | 80.78% |
| CHEMBL3194 | P02766 | Transthyretin | 84.01% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.93% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.85% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.44% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
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.
| Hydrastis canadensis |
| PubChem | 470422 |
| LOTUS | LTS0193645 |
| wikiData | Q104956939 |