[6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 3e8d3b3f-53a1-49d0-9718-c0a86f0811e6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | [6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O |
| InChI | InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2 |
| InChI Key | HUKWADINTARKBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H23NO9 |
| Molecular Weight | 457.40 g/mol |
| Exact Mass | 457.13728131 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of [6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6-cyanophenylmethoxy-345-trihydroxyoxan-2-ylmethyl-3-34-dihydroxyphenylprop-2-enoate.jpg "2D Structure of [6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate")
| 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 | 99.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.97% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.59% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.09% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.91% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.91% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.35% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.95% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.40% | 83.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.64% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.77% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.39% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.48% | 95.93% |
| CHEMBL3194 | P02766 | Transthyretin | 84.96% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.24% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.06% | 94.08% |
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.
| Prunus buergeriana |
| Prunus grayana |
| PubChem | 363079 |
| LOTUS | LTS0006448 |
| wikiData | Q105033858 |