2-[2-(Hydroxyiminomethyl)-6-pyridin-2-ylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol
| Internal ID | 47ffdb01-59ec-4a53-a2b0-eed6b79f83b8 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines |
| IUPAC Name | 2-[2-(hydroxyiminomethyl)-6-pyridin-2-ylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=NC(=C2)C3=CC=CC=N3)C=NO)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=NC(=C2)C3=CC=CC=N3)C=NO)O)O)O |
| InChI | InChI=1S/C17H19N3O6/c1-9-14(21)15(22)16(23)17(25-9)26-11-6-10(8-19-24)20-13(7-11)12-4-2-3-5-18-12/h2-9,14-17,21-24H,1H3 |
| InChI Key | QNRNYYHURAVNQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19N3O6 |
| Molecular Weight | 361.30 g/mol |
| Exact Mass | 361.12738533 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-[2-(Hydroxyiminomethyl)-6-pyridin-2-ylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxyiminomethyl-6-pyridin-2-ylpyridin-4-yloxy-6-methyloxane-345-triol.jpg "2D Structure of 2-[2-(Hydroxyiminomethyl)-6-pyridin-2-ylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.89% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.84% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 96.38% | 97.53% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.34% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 93.93% | 89.76% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 92.74% | 87.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.89% | 93.10% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 91.73% | 88.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.98% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.36% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.16% | 94.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.01% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.53% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.81% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.63% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.32% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.55% | 89.63% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.78% | 83.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.87% | 81.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163062514 |
| LOTUS | LTS0138076 |
| wikiData | Q104196006 |