4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridine-3-carboxylic acid
| Internal ID | 5844853b-e21d-4c7d-9bba-bd84b658c7f2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridine-3-carboxylic acid |
| SMILES (Canonical) | C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O |
| SMILES (Isomeric) | C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O |
| InChI | InChI=1S/C12H15NO8/c14-4-7-8(15)9(16)10(17)12(21-7)20-6-1-2-13-3-5(6)11(18)19/h1-3,7-10,12,14-17H,4H2,(H,18,19) |
| InChI Key | LRAYZXVBPSCDCZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H15NO8 |
| Molecular Weight | 301.25 g/mol |
| Exact Mass | 301.07976644 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of 4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridine-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-345-trihydroxy-6-hydroxymethyloxan-2-yloxypyridine-3-carboxylic-acid.jpg "2D Structure of 4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyridine-3-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.68% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.87% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.01% | 81.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.16% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.68% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.02% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.85% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.46% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.96% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.54% | 83.82% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.87% | 93.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.08% | 95.71% |
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.
| Erigeron bonariensis |
| PubChem | 20979941 |
| LOTUS | LTS0123103 |
| wikiData | Q105156034 |