Methyl 5-(1-hydroxyethyl)pyridine-3-carboxylate
| Internal ID | c9ab8e79-8fa8-488a-b2c6-84b13c08dc85 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 5-(1-hydroxyethyl)pyridine-3-carboxylate |
| SMILES (Canonical) | CC(C1=CC(=CN=C1)C(=O)OC)O |
| SMILES (Isomeric) | CC(C1=CC(=CN=C1)C(=O)OC)O |
| InChI | InChI=1S/C9H11NO3/c1-6(11)7-3-8(5-10-4-7)9(12)13-2/h3-6,11H,1-2H3 |
| InChI Key | WVNTUMMLZVFENY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.19 g/mol |
| Exact Mass | 181.07389321 g/mol |
| Topological Polar Surface Area (TPSA) | 59.40 Ų |
| XlogP | 0.20 |
| 38940-64-6 |
| SCHEMBL7826113 |
| DTXSID60434100 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.72% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.19% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.98% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.55% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.19% | 81.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.42% | 92.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.34% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.31% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.03% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.67% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.99% | 96.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.72% | 85.30% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.10% | 91.11% |
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.
| Nauclea diderrichii |
| Strychnos spinosa |
| PubChem | 10012541 |
| LOTUS | LTS0256304 |
| wikiData | Q82248421 |