2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enenitrile
| Internal ID | 7639fa97-b3c5-45dd-a96e-21118deb9778 |
| 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]prop-2-enenitrile |
| SMILES (Canonical) | C=C(COC1C(C(C(C(O1)CO)O)O)O)C#N |
| SMILES (Isomeric) | C=C(COC1C(C(C(C(O1)CO)O)O)O)C#N |
| InChI | InChI=1S/C10H15NO6/c1-5(2-11)4-16-10-9(15)8(14)7(13)6(3-12)17-10/h6-10,12-15H,1,3-4H2 |
| InChI Key | DBRWANAQMUPTPJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H15NO6 |
| Molecular Weight | 245.23 g/mol |
| Exact Mass | 245.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enenitrile](https://plantaedb.com/storage/docs/compounds/2023/11/2-345-trihydroxy-6-hydroxymethyloxan-2-yloxymethylprop-2-enenitrile.jpg "2D Structure of 2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enenitrile")
| 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 |
|---|---|---|---|---|
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.05% | 86.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.19% | 91.11% |
| CHEMBL3589 | P55263 | Adenosine kinase | 88.75% | 98.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.74% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.25% | 83.82% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.42% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.10% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.31% | 97.09% |
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.
| Codiaeum variegatum |
| PubChem | 74394418 |
| LOTUS | LTS0272370 |
| wikiData | Q104974759 |