N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-[(E)-2-isocyanoethenyl]phenoxy]-2-methyloxan-3-yl]acetamide
| Internal ID | 2cbea29b-395f-4ee4-8428-63095b620378 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-[(E)-2-isocyanoethenyl]phenoxy]-2-methyloxan-3-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20N2O5/c1-10-14(19-11(2)20)15(21)16(22)17(23-10)24-13-6-4-12(5-7-13)8-9-18-3/h4-10,14-17,21-22H,1-2H3,(H,19,20)/b9-8+/t10-,14+,15+,16-,17+/m1/s1 |
| InChI Key | WQBVZBBQNNMLLX-HGERRDNWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H20N2O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.13722174 g/mol |
| Topological Polar Surface Area (TPSA) | 92.40 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-[(E)-2-isocyanoethenyl]phenoxy]-2-methyloxan-3-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2r3r4s5r6s-45-dihydroxy-6-4-e-2-isocyanoethenylphenoxy-2-methyloxan-3-ylacetamide.jpg "2D Structure of N-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-[(E)-2-isocyanoethenyl]phenoxy]-2-methyloxan-3-yl]acetamide")
| 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 | 98.38% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.56% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.19% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.74% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.58% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.66% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.39% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.23% | 97.36% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.84% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.05% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.87% | 95.56% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.15% | 88.42% |
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.
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| There are no matching plants. |
| PubChem | 146684502 |
| LOTUS | LTS0235725 |
| wikiData | Q105310331 |