6-[5,6-Dihydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
| Internal ID | 962ce5e2-d48b-49b3-bfef-46de125df9ad |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 6-[5,6-dihydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O18/c1-21(20(31)32)33-4-7-14(39-21)10(26)12(28)19(36-7)37-15-6(3-23)34-17(30)13(29)16(15)38-18-11(27)9(25)8(24)5(2-22)35-18/h5-19,22-30H,2-4H2,1H3,(H,31,32) |
| InChI Key | OACKGKFKRHMQQI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O18 |
| Molecular Weight | 574.50 g/mol |
| Exact Mass | 574.17451423 g/mol |
| Topological Polar Surface Area (TPSA) | 284.00 Ų |
| XlogP | -6.10 |
| There are no found synonyms. |
![2D Structure of 6-[5,6-Dihydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/04c3a650-85ce-11ee-ae76-958b7626a887.jpg "2D Structure of 6-[5,6-Dihydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid")
| 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 | 97.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.71% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.30% | 96.61% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.53% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.21% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.14% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.07% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.29% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.15% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.41% | 89.00% |
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 | 163086684 |
| LOTUS | LTS0038405 |
| wikiData | Q105188602 |