[(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4,6-trihydroxybenzoate
| Internal ID | 517bbed5-5708-42e3-b6ed-6c7fb1385898 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4,6-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H26O13/c28-11-20-22(35)23(36)25(39-26(37)21-17(32)8-16(31)9-18(21)33)27(38-20)40-24-13(7-15(30)10-19(24)34)4-1-12-2-5-14(29)6-3-12/h1-10,20,22-23,25,27-36H,11H2/b4-1+/t20-,22-,23+,25-,27+/m1/s1 |
| InChI Key | HBKMWUSECALHGB-IUGBKTGVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H26O13 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4,6-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/4fc65570-8634-11ee-a974-f374e6df58b7.jpg "2D Structure of [(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4,6-trihydroxybenzoate")
| 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 | 99.44% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.83% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.75% | 96.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.24% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.18% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.92% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.21% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.90% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.01% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.21% | 90.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.67% | 97.53% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.44% | 86.92% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.35% | 88.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.75% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.69% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 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.
| Euphorbia smirnovii |
| PubChem | 163187677 |
| LOTUS | LTS0071666 |
| wikiData | Q105025337 |