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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:23:33 UTC
Update Date2022-03-07 02:56:44 UTC
HMDB IDHMDB0040806
Secondary Accession Numbers
  • HMDB40806
Metabolite Identification
Common Name[7]-Paradol
Description[7]-Paradol belongs to the class of organic compounds known as paradols. Paradols are compounds containing a paradol moiety, which is consists of a benzene ring with a decan-3-one moiety, a methoxyl group, and a hydroxyl group at positions 1,3, and 4 respectively. [7]-Paradol has been detected, but not quantified in, a few different foods, such as alcoholic beverages, gingers (Zingiber officinale), and herbs and spices. This could make [7]-paradol a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on [7]-Paradol.
Structure
Thumb
Synonyms
ValueSource
1-(4-Hydroxy-3-methoxyphenyl)-3-undecanoneHMDB
4-Hydroxy-3-methoxyphenethyl octyl ketoneHMDB
Chemical FormulaC18H28O3
Average Molecular Weight292.4131
Monoisotopic Molecular Weight292.203844762
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
Traditional Name1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
CAS Registry Number53172-04-6
SMILES
CCCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1
InChI Identifier
InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20)18(14-15)21-2/h11,13-14,20H,3-10,12H2,1-2H3
InChI KeyCNKCFVAEACZBPL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as paradols. Paradols are compounds containing a paradol moiety, which is consists of a benzene ring with a decan-3-one moiety, a methoxyl group, and a hydroxyl group at positions 1,3, and 4 respectively.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentParadols
Alternative Parents
Substituents
  • Paradol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ketone
  • Ether
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point35.5 - 36.5 °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 IDFDB020622
KNApSAcK IDC00035032
Chemspider ID14877720
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13733135
PDB IDNot Available
ChEBI ID174779
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.. .