Hex(?1-3)HexA(?1-3)aldehydo-Hex
| Internal ID | 6ee4a378-3485-4030-b905-3c3a2e57e757 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 3,5-dihydroxy-6-(2,4,5,6-tetrahydroxy-1-oxohexan-3-yl)oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H30O17/c19-1-4(22)7(24)13(5(23)2-20)33-18-12(29)14(11(28)15(35-18)16(30)31)34-17-10(27)9(26)8(25)6(3-21)32-17/h2,4-15,17-19,21-29H,1,3H2,(H,30,31) |
| InChI Key | DLQVOIRDGFAWPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O17 |
| Molecular Weight | 518.40 g/mol |
| Exact Mass | 518.14829948 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | -6.40 |
| There are no found synonyms. |
| 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 | 93.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.12% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.95% | 86.92% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.38% | 95.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.17% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.77% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.69% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.41% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.28% | 97.29% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162908875 |
| LOTUS | LTS0224088 |
| wikiData | Q104984578 |