2-[4-(Hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
| Internal ID | ea726bad-98ea-46d7-988d-3a6bc9aca9d1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC)CO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC)CO |
| InChI | InChI=1S/C20H30O13/c1-28-10-3-8(5-21)4-11(29-2)18(10)33-20-17(27)15(25)14(24)12(32-20)7-31-19-16(26)13(23)9(22)6-30-19/h3-4,9,12-17,19-27H,5-7H2,1-2H3 |
| InChI Key | ZIRLIRWWNWLPFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O13 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | -3.30 |
| There are no found synonyms. |
![2D Structure of 2-[4-(Hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-hydroxymethyl-26-dimethoxyphenoxy-6-345-trihydroxyoxan-2-yloxymethyloxane-345-triol.jpg "2D Structure of 2-[4-(Hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.37% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.60% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.57% | 95.93% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.86% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.52% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.80% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.93% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.55% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.15% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.54% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.34% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.40% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.45% | 95.83% |
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.
| Potalia amara |
| Scleropyrum pentandrum |
| PubChem | 162885109 |
| LOTUS | LTS0103426 |
| wikiData | Q105377420 |