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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:26 UTC
Update Date2023-02-21 17:22:36 UTC
HMDB IDHMDB0032727
Secondary Accession Numbers
  • HMDB32727
Metabolite Identification
Common Name4-Methoxy-1-naphthol
Description4-Methoxy-1-naphthol belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. 4-Methoxy-1-naphthol has been detected, but not quantified in, several different foods, such as beverages, black tea, herbs and spices, herbal tea, and teas (Camellia sinensis). This could make 4-methoxy-1-naphthol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-Methoxy-1-naphthol.
Structure
Thumb
Synonyms
ValueSource
1-Hydroxy-4-methoxynaphthaleneHMDB
4-Methoxy-1-naphthalenolHMDB
4-Methoxy-1-naphtholMeSH
Walrycin aMeSH
Chemical FormulaC11H10O2
Average Molecular Weight174.1959
Monoisotopic Molecular Weight174.068079564
IUPAC Name4-methoxynaphthalen-1-ol
Traditional Name4-methoxynaphthalen-1-ol
CAS Registry Number84-85-5
SMILES
COC1=CC=C(O)C2=CC=CC=C12
InChI Identifier
InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
InChI KeyBOTGCZBEERTTDQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNaphthols and derivatives
Direct ParentNaphthols and derivatives
Alternative Parents
Substituents
  • 1-naphthol
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point124 - 126 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility962.8 mg/L @ 25 °C (est)The Good Scents Company Information System
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 IDFDB010688
KNApSAcK IDC00058219
Chemspider ID59913
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound66542
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1204261
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.. .