[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3-acetyloxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
| Internal ID | 8b0a356c-078f-4bc8-a316-b5ccdeb9af79 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3-acetyloxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H48O21/c1-17(38)48-15-28-31(52-21(5)42)33(34(54-23(7)44)36(56-28)47-13-12-25-10-11-26(46-9)27(14-25)50-19(3)40)58-37-35(55-24(8)45)32(53-22(6)43)30(51-20(4)41)29(57-37)16-49-18(2)39/h10-11,14,28-37H,12-13,15-16H2,1-9H3/t28-,29-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1 |
| InChI Key | RGYKXVDDEDXCHM-PRZFNYAESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H48O21 |
| Molecular Weight | 828.80 g/mol |
| Exact Mass | 828.26880854 g/mol |
| Topological Polar Surface Area (TPSA) | 257.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3-acetyloxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e6322a80-85d3-11ee-a825-0b0d86b1466a.jpg "2D Structure of [(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-[2-(3-acetyloxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate")
| 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 | 98.30% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.18% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.53% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.25% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.78% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.56% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.22% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.99% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.62% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.01% | 94.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.10% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
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.
| There are no matching plants. |
| PubChem | 162997320 |
| LOTUS | LTS0075488 |
| wikiData | Q105236151 |