Bis[[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl] 3,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,2-dicarboxylate
| Internal ID | e2f5d6cc-f6ba-49b6-a50e-263d7fddceb7 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | bis[[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl] 3,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,2-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H44O20/c43-19-3-7-21(8-4-19)59-41-37(53)35(51)33(49)27(61-41)15-57-39(55)31-29(17-1-11-23(45)25(47)13-17)30(18-2-12-24(46)26(48)14-18)32(31)40(56)58-16-28-34(50)36(52)38(54)42(62-28)60-22-9-5-20(44)6-10-22/h1-14,27-38,41-54H,15-16H2 |
| InChI Key | JABLVBVHBADMAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H44O20 |
| Molecular Weight | 868.80 g/mol |
| Exact Mass | 868.24259379 g/mol |
| Topological Polar Surface Area (TPSA) | 332.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of Bis[[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl] 3,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,2-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9cd61f00-87dc-11ee-bc22-67f13c087a0e.jpg "2D Structure of Bis[[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl] 3,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,2-dicarboxylate")
| 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 | 99.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.32% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.89% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.88% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.31% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.42% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.78% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.90% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.69% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.91% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.86% | 94.73% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 86.44% | 97.53% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.42% | 97.21% |
| CHEMBL3194 | P02766 | Transthyretin | 85.32% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.27% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.94% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.80% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.02% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.77% | 92.50% |
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.
| Vaccinium dunalianum |
| PubChem | 163057631 |
| LOTUS | LTS0076734 |
| wikiData | Q105123652 |