[6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
| Internal ID | ade5797d-a386-480d-85b9-62a26093bf1e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O)OC |
| InChI | InChI=1S/C14H20O11S/c1-21-8-4-3-7(5-9(8)22-2)24-14-13(17)12(16)11(15)10(25-14)6-23-26(18,19)20/h3-5,10-17H,6H2,1-2H3,(H,18,19,20) |
| InChI Key | JXQILKWOLRRNMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O11S |
| Molecular Weight | 396.37 g/mol |
| Exact Mass | 396.07263262 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of [6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/6-34-dimethoxyphenoxy-345-trihydroxyoxan-2-ylmethyl-hydrogen-sulfate.jpg "2D Structure of [6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate")
| 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 | 97.05% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.16% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.83% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.39% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.35% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.95% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.94% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.52% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.50% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.85% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.59% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.52% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.33% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.87% | 96.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.23% | 85.31% |
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.
| Bursera simaruba |
| PubChem | 163021160 |
| LOTUS | LTS0109487 |
| wikiData | Q105136721 |