2-[2-[2-(3,5-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | c4e48400-90f3-4f41-bdc2-7aa185836a84 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-[2-[2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)C=CC3=CC(=CC(=C3)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)C=CC3=CC(=CC(=C3)O)O |
| InChI | InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-8-12(22)4-3-11(15)2-1-10-5-13(23)7-14(24)6-10/h1-8,16-27H,9H2 |
| InChI Key | UPUMEBJDZQEUFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O9 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 2-[2-[2-(3,5-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-2-35-dihydroxyphenylethenyl-5-hydroxyphenoxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[2-[2-(3,5-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.00% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.91% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.50% | 96.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 93.98% | 83.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.74% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.29% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.38% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.11% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.98% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.20% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.17% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.59% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.21% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.74% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.23% | 95.93% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.89% | 91.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.78% | 95.83% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.33% | 88.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 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.
| Morus alba |
| Morus nigra |
| Schoenocaulon officinale |
| PubChem | 73122727 |
| LOTUS | LTS0037217 |
| wikiData | Q105277003 |