(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol
| Internal ID | 7ad946a5-5847-48ee-8a68-ac4c237a43d2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol |
| SMILES (Canonical) | COC1=CC(=CC(=C1CO)OC)OC2C(OC(C(C2O)O)O)CO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1CO)OC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO |
| InChI | InChI=1S/C15H22O9/c1-21-9-3-7(4-10(22-2)8(9)5-16)23-14-11(6-17)24-15(20)13(19)12(14)18/h3-4,11-20H,5-6H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1 |
| InChI Key | UNSACEOBUSYVIQ-KJWHEZOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O9 |
| Molecular Weight | 346.33 g/mol |
| Exact Mass | 346.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4r5s6r-6-hydroxymethyl-5-4-hydroxymethyl-35-dimethoxyphenoxyoxane-234-triol.jpg "2D Structure of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.70% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.44% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.13% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.96% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.06% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.69% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.49% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.11% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.37% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.11% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.62% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.19% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.03% | 95.56% |
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.
| Acer saccharum |
| PubChem | 162867482 |
| LOTUS | LTS0240093 |
| wikiData | Q105276119 |