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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 15:43:07 UTC
Update Date2021-09-26 23:11:00 UTC
HMDB IDHMDB0255842
Secondary Accession NumbersNone
Metabolite Identification
Common NameO-Anisidine
Descriptiono-anisidine, also known as 2-aminoanisole or 2-methoxyaniline, belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. Based on a literature review a significant number of articles have been published on o-anisidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). O-anisidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically O-Anisidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
1-Amino-2-methoxybenzeneChEBI
2-AminoanisoleChEBI
2-AnisidineChEBI
2-Methoxy-1-aminobenzeneChEBI
2-MethoxyanilineChEBI
2-MethoxybenzenamineChEBI
O-AminoanisoleChEBI
O-AnisylamineChEBI
O-MethoxyanilineChEBI
O-MethoxyphenylamineChEBI
Ortho-aminoanisoleChEBI
Ortho-anisidineChEBI
O-AnisidineKEGG
2-Anisidine hydrochlorideMeSH
Chemical FormulaC7H9NO
Average Molecular Weight123.155
Monoisotopic Molecular Weight123.068413914
IUPAC Name2-methoxyaniline
Traditional NameO-anisidine
CAS Registry NumberNot Available
SMILES
COC1=CC=CC=C1N
InChI Identifier
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChI KeyVMPITZXILSNTON-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassAminophenyl ethers
Direct ParentAminophenyl ethers
Alternative Parents
Substituents
  • Aminophenyl ether
  • Methoxyaniline
  • Phenoxy compound
  • Anisole
  • Aniline or substituted anilines
  • Methoxybenzene
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID13860775
KEGG Compound IDC19191
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkO-Anisidine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID82288
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1269991
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]