[5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 4e8bc843-2c3c-4b9d-adfa-39f27fb665f6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3 |
| InChI Key | KZLDMAIXPXOZCX-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C37H48O21 |
| Molecular Weight | 828.80 g/mol |
| Exact Mass | 828.26880854 g/mol |
| Topological Polar Surface Area (TPSA) | 331.00 Ų |
| XlogP | -1.50 |
| 112516-05-9 |
| DTXSID501317887 |
| BCP10885 |
| FT-0775331 |
![2D Structure of [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2e182c40-86d3-11ee-8d6f-add02761cbb7.jpg "2D Structure of [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate")
| 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 | 99.77% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.78% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.93% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.45% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.09% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.92% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.28% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.64% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 90.61% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.47% | 94.80% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.23% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.76% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.30% | 80.78% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.86% | 96.37% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.28% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.98% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.65% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.89% | 95.89% |
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.
| Cistanche deserticola |
| PubChem | 73818350 |
| LOTUS | LTS0076144 |
| wikiData | Q105148310 |