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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:11:22 UTC
Update Date2023-02-21 17:23:19 UTC
HMDB IDHMDB0033455
Secondary Accession Numbers
  • HMDB33455
Metabolite Identification
Common Name2-Hydroxy-3-methyl-9H-carbazole
Description2-Hydroxy-3-methyl-9H-carbazole belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 2-Hydroxy-3-methyl-9H-carbazole has been detected, but not quantified in, herbs and spices. This could make 2-hydroxy-3-methyl-9H-carbazole a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Hydroxy-3-methyl-9H-carbazole.
Structure
Thumb
Synonyms
ValueSource
2-Hydroxy-3-methylcarbazoleHMDB
3-Methyl-9H-carbazol-2-ol, 9ciHMDB
Chemical FormulaC13H11NO
Average Molecular Weight197.2325
Monoisotopic Molecular Weight197.084063979
IUPAC Name3-methyl-9H-carbazol-2-ol
Traditional Name3-methyl-9H-carbazol-2-ol
CAS Registry Number24224-30-4
SMILES
CC1=C(O)C=C2NC3=CC=CC=C3C2=C1
InChI Identifier
InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-7,14-15H,1H3
InChI KeyZLOJFAGTWDOURE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassCarbazoles
Direct ParentCarbazoles
Alternative Parents
Substituents
  • Carbazole
  • Hydroxyindole
  • Indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Heteroaromatic compound
  • Pyrrole
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point245 - 246 °CNot 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
  • Membrane
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 IDFDB011494
KNApSAcK IDC00024672
Chemspider ID2701142
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3459141
PDB IDNot Available
ChEBI IDNot Available
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.. .