Dhurrin 6'-glucoside
| Internal ID | 15454ec3-c757-40e0-b01f-5c89f1edc0c9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | 2-(4-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| SMILES (Canonical) | C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O |
| InChI | InChI=1S/C20H27NO12/c21-5-10(8-1-3-9(23)4-2-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2 |
| InChI Key | FPYKJQSRWXKDRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H27NO12 |
| Molecular Weight | 473.40 g/mol |
| Exact Mass | 473.15332530 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -3.10 |
| CHEBI:156184 |
| 2-(4-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| 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 | 98.60% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.82% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.47% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.28% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.20% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.70% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.31% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.88% | 96.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.03% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.69% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.34% | 94.80% |
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.
| Sorghum bicolor |
| PubChem | 131750898 |
| LOTUS | LTS0259472 |
| wikiData | Q104999467 |