2-[3-[2-(3,4-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 49d28eee-729d-4edb-a9a0-cf11c97b38a6 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-[3-[2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2 |
| InChI Key | PERPNFLGJXUDDW-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 | 0.70 |
| There are no found synonyms. |
![2D Structure of 2-[3-[2-(3,4-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-2-34-dihydroxyphenylethenyl-5-hydroxyphenoxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[3-[2-(3,4-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 | 99.71% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.09% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 94.72% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.06% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.35% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.20% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.22% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.13% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.40% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.19% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.57% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.90% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.81% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.87% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.70% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.61% | 95.83% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.19% | 80.78% |
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.
| Abies nephrolepis |
| Fagopyrum megacarpum |
| Picea abies |
| Picea sitchensis |
| Vitis vinifera |
| PubChem | 5089891 |
| LOTUS | LTS0222338 |
| wikiData | Q105207284 |