2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-ethenyl-2-methoxyphenoxy)oxane-3,4,5-triol
| Internal ID | 3b7b8d56-23d9-48a8-af1d-44f3fc0707de |
| 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-(4-ethenyl-2-methoxyphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O |
| InChI | InChI=1S/C20H28O11/c1-3-10-4-5-11(12(6-10)27-2)30-18-16(24)15(23)14(22)13(31-18)7-28-19-17(25)20(26,8-21)9-29-19/h3-6,13-19,21-26H,1,7-9H2,2H3 |
| InChI Key | YCZLNSMKISKQGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O11 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-ethenyl-2-methoxyphenoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/406f8b70-85c6-11ee-baec-e3761467c2c5.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-ethenyl-2-methoxyphenoxy)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 | 98.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.82% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.42% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.74% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.66% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.86% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.02% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.56% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.78% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.36% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.72% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.05% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.82% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.92% | 86.92% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.91% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.24% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.06% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.54% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.51% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.20% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.13% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 163084061 |
| LOTUS | LTS0122935 |
| wikiData | Q104201586 |