α-methylpyridine
AlkaPlorer ID: AK014572
Synonym: None
IUPAC Name: 2-methylpyridine
Structure
SMILES: CC1=CC=CC=N1
InChI: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
InChIKey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
Reference
The volatile bases of cigar smoke
PubChem CID: 157447575
CAS: 109-06-8
LOTUS: LTS0234347
SuperNatural Ⅲ: SN0034160
COCONUT: CNP0137947
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mentha arvensis | Mentha | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 93.129
TPSA？: 12.89
MolLogP？: 1.39002
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Thromboxane-A synthase | Inhibition | 14.7 | % | 10.1021/jm00142a006 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Enhancement | 38.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Inhibition | 166.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 50.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 890000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 64000000.0 | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | nan | nM | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Mean enhancement of binding | 20.7 | None | 10.1021/jm00147a021 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | No relevant target | pKa | 5.94 | None | 10.1021/jm00226a007 |
| None | No relevant target | pKa | 6.0 | None | 10.1021/jm00195a026 |