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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:32 UTC
Update Date2025-03-21 18:39:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123581
Frequency20.9
Structure
Chemical FormulaC21H24N2O2
Molecular Mass336.1838
SMILESC=CC1CN2C(C(O)c3ccnc4ccc(OC)cc34)CC1C1CC12
InChI KeyABTSIQWLODGVCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classcinchona alkaloids
Subclass cinchona alkaloids
Direct Parent cinchona alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 2-halopyridines
  • 4-quinolinemethanols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • azepanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organopnictogen compounds
  • piperidines
  • polyhalopyridines
  • quinuclidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • ether
  • polyhalopyridine
  • quinuclidine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • cinchonan-skeleton
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • 4-quinolinemethanol
  • pyridine
  • azepane
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound