4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
| Internal ID | cdf8f50d-26fd-41da-8ba7-ac552fb2b8c4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile |
| SMILES (Canonical) | C(C=CC#N)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | C(C=CC#N)OC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI=1S/C10H15NO6/c11-3-1-2-4-16-10-9(15)8(14)7(13)6(5-12)17-10/h1-2,6-10,12-15H,4-5H2 |
| InChI Key | JCBRWHGFOXGWGX-UHFFFAOYSA-N |
| Popularity | 0 references 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 | -2.20 |
| There are no found synonyms. |
![2D Structure of 4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile](https://plantaedb.com/storage/docs/compounds/2023/11/4-345-trihydroxy-6-hydroxymethyloxan-2-yloxybut-2-enenitrile.jpg "2D Structure of 4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-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 | 94.79% | 86.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.09% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.92% | 95.93% |
| CHEMBL3589 | P55263 | Adenosine kinase | 89.88% | 98.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.49% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.38% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.10% | 95.58% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.70% | 95.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.68% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.77% | 96.00% |
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.
| Alliaria petiolata |
| PubChem | 85167669 |
| LOTUS | LTS0063231 |
| wikiData | Q105124709 |