6-Hydroxynicotine
AlkaPlorer ID: AK002964
Synonym: None
IUPAC Name: 5-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-one
Structure
SMILES: CN1CCCC1C2=CNC(=O)C=C2
InChI: InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)
InChIKey: ATRCOGLZUCICIV-UHFFFAOYSA-N
Reference
Biodegradation and metabolic pathway of nicotine in Rhodococcus sp. Y22
PubChem CID: 249885
CAS: 2055-13-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 178.23499999999999
TPSA？: 36.1
MolLogP？: 1.1416000000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -7.12 | % | 10.6019/CHEMBL4296182 |
| Bacillus subtilis (strain 168) | ATP-dependent Clp protease proteolytic subunit | Potency | 31622.8 | nM | None |
| Candida albicans | Candida albicans | Inhibition | -1.49 | % | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -7.69 | % | 10.6019/CHEMBL4296182 |
| Escherichia coli | Escherichia coli | Inhibition | 16.87 | % | 10.6019/CHEMBL4296182 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 15.46 | % | 10.6019/CHEMBL4296182 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 22.02 | % | 10.6019/CHEMBL4296182 |
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 1072.0 | nM | 10.1021/jm0100178 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 23.44 | % | 10.6019/CHEMBL4296182 |
| None | Unchecked | Potency | 1258.9 | nM | None |