Showing Compound Card for 4-Hydroxy-6-methylquinoline (CDB006394)

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Record Information
Version1.0
Created at2021-01-13 17:44:17 UTC
Updated at2021-01-13 17:44:18 UTC
CannabisDB IDCDB006394
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name4-Hydroxy-6-methylquinoline
Description4-Hydroxy-6-methylquinoline also known as 6-Methylquinolin-4-ol or 6-Methyl-4-quinolinol belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. 4-Hydroxy-6-methylquinoline is one of several structural isomers of hydroxymethylquinoline wherein the methyl and hydroxyl groups are substituted at different positions of quinoline. Hydroxymethylquinolines are found in cannabis smoke. 6-Methylquinolin-4-ol is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ).
Structure
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MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC10H9NO
Average Molecular Weight159.188
Monoisotopic Molecular Weight159.068413914
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC1=CC2=C(NC=CC2=O)C=C1
InChI Identifier
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
InChI KeyPJEUKNUOCWNERE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassQuinolones and derivatives
Direct ParentHydroquinolones
Alternative Parents
Substituents
  • Dihydroquinolone
  • Dihydroquinoline
  • Benzenoid
  • Pyridine
  • Heteroaromatic compound
  • Vinylogous amide
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
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Physical Properties
StateNot Available
Experimental Properties
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Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
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Pathways
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Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
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HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID224568
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound256080
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available