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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:35:47 UTC
Update Date2022-03-07 02:52:29 UTC
HMDB IDHMDB0030263
Secondary Accession Numbers
  • HMDB30263
Metabolite Identification
Common NameRhazidigenine Nb-oxide
DescriptionRhazidigenine Nb-oxide belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Based on a literature review a significant number of articles have been published on Rhazidigenine Nb-oxide.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC19H26N2O2
Average Molecular Weight314.4219
Monoisotopic Molecular Weight314.199428086
IUPAC Name15-ethyl-4-hydroxy-1λ⁵,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-5,7,9,11-tetraen-1-one
Traditional Name15-ethyl-4-hydroxy-1λ⁵,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-5,7,9,11-tetraen-1-one
CAS Registry Number26066-43-3
SMILES
CCC12CCCN(=O)(C1)CCC1(O)C(CC2)=NC2=CC=CC=C12
InChI Identifier
InChI=1S/C19H26N2O2/c1-2-18-9-5-12-21(23,14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3
InChI KeyDJKWUXVCQNIASK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndoles
Direct Parent3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Piperidine
  • Benzenoid
  • Tertiary alcohol
  • Trialkyl amine oxide
  • Ketimine
  • N-oxide
  • Trisubstituted n-oxide
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Alcohol
  • Organic zwitterion
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Imine
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002091
KNApSAcK IDNot Available
Chemspider ID544464
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound626805
PDB IDNot Available
ChEBI ID172545
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .