[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 1afdd6b3-1f2f-4e8f-a04d-72def4de879c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O11/c24-14-5-7-23(31,8-6-14)9-10-32-22-21(30)20(29)19(28)17(34-22)12-33-18(27)4-2-13-1-3-15(25)16(26)11-13/h1-4,11,17,19-22,25-26,28-31H,5-10,12H2/b4-2+/t17-,19-,20+,21-,22-/m1/s1 |
| InChI Key | HKSCUCBTXKVQSE-GMXDBSSDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H30O11 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6af5fc20-857d-11ee-86b3-b9671a9b8d11.jpg "2D Structure of [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate")
| 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 | 99.91% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.89% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.79% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.43% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.63% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 87.45% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.19% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.31% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.04% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.27% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.63% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.48% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.18% | 97.33% |
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.
| Clerodendrum bungei |
| PubChem | 44179772 |
| LOTUS | LTS0082892 |
| wikiData | Q105029931 |