1-methyl-2H-pyridine-3-carboxylic acid
| Internal ID | be4f1dce-318a-4b95-ad69-d37b3cdbbdbe |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Dihydropyridines > Dihydropyridinecarboxylic acids and derivatives |
| IUPAC Name | 1-methyl-2H-pyridine-3-carboxylic acid |
| SMILES (Canonical) | CN1CC(=CC=C1)C(=O)O |
| SMILES (Isomeric) | CN1CC(=CC=C1)C(=O)O |
| InChI | InChI=1S/C7H9NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-4H,5H2,1H3,(H,9,10) |
| InChI Key | YCABHAGDPZAUBJ-UHFFFAOYSA-N |
| Popularity | 89 references in papers |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.15 g/mol |
| Exact Mass | 139.063328530 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 0.50 |
| YCABHAGDPZAUBJ-UHFFFAOYSA-N |
| AKOS006388072 |
| 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 | 95.73% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.06% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.62% | 98.95% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.35% | 87.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.51% | 93.00% |
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.
| Trigonella foenum-graecum |
| PubChem | 21276947 |
| LOTUS | LTS0062215 |
| wikiData | Q105346144 |