6-hydroxy-N-methylmyosmine (PAMDB100044)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB100044
Identification
Name: 6-hydroxy-N-methylmyosmine
Description:A member of the class of pyrrolines that is N-methyl-2-pyrroline carrying a 6-hydroxypyridin-3-yl substituent at position 2.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C10H12N2O
Average Molecular Weight: 176.2151
Monoisotopic Molecular Weight: 176.095
InChI Key: LWGKCPAYDQWMMS-UHFFFAOYSA-N
InChI:InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
CAS number: Not Available
IUPAC Name:5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2(1H)-one
Traditional IUPAC Name: Not Available
SMILES:CN1CCC=C1c1ccc(O)nc1
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Pyridines and derivatives
Sub ClassHydropyridines
Direct Parent Pyridinones
Alternative Parents
Substituents
  • Dihydropyridine
  • Pyridinone
  • Pyrroline
  • Heteroaromatic compound
  • Lactam
  • Tertiary amine
  • Tertiary aliphatic amine
  • Enamine
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • monohydroxypyridine, pyrroline (CHEBI:87460)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass176.2148ChemAxon
logP1.4015ChemAxon
H-bond acceptors3ChemAxon
H-bond donors1ChemAxon
Rotatable bonds1ChemAxon
PSA36.3600ChemAxon
RO5 violations0ChemAxon
RO3 violations0ChemAxon
Refractivity55.4690ChemAxon
Atoms25ChemAxon
Rings2ChemAxon
Heavy atoms13ChemAxon
Hydrogen atoms12ChemAxon
Heteroatoms3ChemAxon
N/O atoms3ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Yu H, Tang H, Zhu X, Li Y, Xu P. Molecular mechanism of nicotine degradation by a newly isolated strain, Ochrobactrum sp. strain SJY1. Appl Environ Microbiol. 2015 Jan;81(1):272-81. Pubmed: 25344232
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    MetaCycCPD-14077