[(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 40c5b8d1-7cd3-4958-a642-a31cc13f22cd |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | [(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O |
| InChI | InChI=1S/C27H26O13/c28-11-20-22(35)25(39-26(37)14-8-17(31)21(34)18(32)9-14)23(36)27(38-20)40-24-13(7-16(30)10-19(24)33)4-1-12-2-5-15(29)6-3-12/h1-10,20,22-23,25,27-36H,11H2/b4-1+/t20-,22-,23-,25+,27+/m1/s1 |
| InChI Key | DUTOHCWIZVHQTL-KUTYSAPFSA-N |
| Popularity | 0 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 | 2.10 |
| 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-(3''-O-monogalloylesters)-glucopyranoside |
![2D Structure of [(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/04dbdc60-85fb-11ee-b260-a7cb42ef10b3.jpg "2D Structure of [(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-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 | 99.70% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 98.92% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.33% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.29% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.63% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.41% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.26% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.64% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.60% | 89.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.46% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.80% | 94.73% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.75% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.49% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.41% | 83.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 84.25% | 88.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.05% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.82% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.15% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.27% | 86.92% |
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.
| There are no matching plants. |
| PubChem | 163039305 |
| LOTUS | LTS0135500 |
| wikiData | Q104989410 |