2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]butanenitrile
| Internal ID | af92f44e-3a10-4320-bf96-c8b737ffdb7b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | 2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]butanenitrile |
| SMILES (Canonical) | CCC(COC1C(C(C(C(O1)CO)O)O)O)C#N |
| SMILES (Isomeric) | CCC(COC1C(C(C(C(O1)CO)O)O)O)C#N |
| InChI | InChI=1S/C11H19NO6/c1-2-6(3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3 |
| InChI Key | YBXDDSPUDXLZCA-UHFFFAOYSA-N |
| Popularity | 0 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 | -1.40 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]butanenitrile](https://plantaedb.com/storage/docs/compounds/2023/11/2-345-trihydroxy-6-hydroxymethyloxan-2-yloxymethylbutanenitrile.jpg "2D Structure of 2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]butanenitrile")
| 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 | 95.97% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.30% | 95.93% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.90% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.91% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.88% | 97.25% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.58% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.13% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.51% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.24% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.85% | 94.73% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.16% | 96.43% |
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.
| Euphorbia maculata |
| PubChem | 74950322 |
| LOTUS | LTS0045615 |
| wikiData | Q105346094 |