2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol
| Internal ID | bee1c0eb-0596-47a0-9a41-177e6b7020cc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O12/c1-26-9-3-4-10(11(5-9)27-2)30-17-15(23)14(22)13(21)12(31-17)6-28-18-16(24)19(25,7-20)8-29-18/h3-5,12-18,20-25H,6-8H2,1-2H3 |
| InChI Key | LJIDKKKHYAPXKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O12 |
| Molecular Weight | 448.40 g/mol |
| Exact Mass | 448.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxy-4-hydroxymethyloxolan-2-yloxymethyl-6-24-dimethoxyphenoxyoxane-345-triol.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2,4-dimethoxyphenoxy)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 | 97.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.85% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.56% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.29% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.69% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.93% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.38% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.22% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.16% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.69% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.86% | 93.18% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.90% | 86.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.73% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.40% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.93% | 89.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73072413 |
| LOTUS | LTS0217971 |
| wikiData | Q105152595 |