2(R)-Hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside
| Internal ID | 89099e4a-52bd-4924-a530-dda675589437 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | 2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile |
| SMILES (Canonical) | CCC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | CCC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3 |
| InChI Key | WEWBWVMTOYUPHH-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C11H19NO6 |
| Molecular Weight | 261.27 g/mol |
| Exact Mass | 261.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | -1.10 |
| AKOS030242404 |
| FT-0627983 |
| FT-0775511 |
| 2-(beta-D-Glucopyranosyloxy)-2-methyl-(R)-Butanenitrile |
| B0005-053966 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.35% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.98% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.51% | 86.92% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.29% | 99.43% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.45% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.07% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.83% | 99.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.27% | 96.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.05% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| PubChem | 4626626 |
| LOTUS | LTS0211301 |
| wikiData | Q105303633 |