Methyl 5-(1-hydroxyethyl)-4-methylpyridine-3-carboxylate
| Internal ID | 0ea22b52-6cf9-4c54-858c-c15dd3611184 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 5-(1-hydroxyethyl)-4-methylpyridine-3-carboxylate |
| SMILES (Canonical) | CC1=C(C=NC=C1C(C)O)C(=O)OC |
| SMILES (Isomeric) | CC1=C(C=NC=C1C(C)O)C(=O)OC |
| InChI | InChI=1S/C10H13NO3/c1-6-8(7(2)12)4-11-5-9(6)10(13)14-3/h4-5,7,12H,1-3H3 |
| InChI Key | XDTYFVALIAILOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.21 g/mol |
| Exact Mass | 195.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 59.40 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
| 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 | 91.92% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.10% | 81.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.42% | 92.29% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.00% | 97.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.77% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.46% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.26% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.80% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.36% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.65% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.19% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.71% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.14% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.07% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.01% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.19% | 94.00% |
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.
| Strychnos spinosa |
| PubChem | 85693922 |
| LOTUS | LTS0222140 |
| wikiData | Q105326074 |