2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol
| Internal ID | b90c7dad-f3fe-40a8-92fe-85df6219b2df |
| 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-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC |
| InChI | InChI=1S/C19H28O12/c1-26-10-4-3-9(5-11(10)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 | QVDZWTVPVOYRJH-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-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxy-4-hydroxymethyloxolan-2-yloxymethyl-6-34-dimethoxyphenoxyoxane-345-triol.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4-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 | 97.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.93% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.05% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.82% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.29% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.91% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.75% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.40% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.22% | 97.36% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.51% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.46% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.20% | 93.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.84% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.97% | 97.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.84% | 95.83% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.50% | 96.95% |
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.
| Keteleeria evelyniana |
| PubChem | 72758256 |
| LOTUS | LTS0059074 |
| wikiData | Q105228612 |