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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:59:51 UTC
Update Date2022-03-07 02:53:39 UTC
HMDB IDHMDB0033284
Secondary Accession Numbers
  • HMDB33284
Metabolite Identification
Common Name8-Hydroxy-4'-methoxypinoresinol
Description8-Hydroxy-4'-methoxypinoresinol belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. 8-Hydroxy-4'-methoxypinoresinol has been detected, but not quantified in, several different foods, such as fats and oils, herbs and spices, olives (Olea europaea), and pomes. This could make 8-hydroxy-4'-methoxypinoresinol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 8-Hydroxy-4'-methoxypinoresinol.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC21H24O7
Average Molecular Weight388.4111
Monoisotopic Molecular Weight388.152203122
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol
Traditional Name1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-ol
CAS Registry Number81426-18-8
SMILES
COC1=C(OC)C=C(C=C1)C1OCC2(O)C1COC2C1=CC(OC)=C(O)C=C1
InChI Identifier
InChI=1S/C21H24O7/c1-24-16-7-5-12(8-18(16)26-3)19-14-10-27-20(21(14,23)11-28-19)13-4-6-15(22)17(9-13)25-2/h4-9,14,19-20,22-23H,10-11H2,1-3H3
InChI KeyJDOYVXXEQQTICM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.
KingdomOrganic compounds
Super ClassLignans, neolignans and related compounds
ClassFuranoid lignans
Sub ClassNot Available
Direct ParentFuranoid lignans
Alternative Parents
Substituents
  • Furanoid lignan
  • Furofuran lignan skeleton
  • O-dimethoxybenzene
  • Dimethoxybenzene
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Furofuran
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Tetrahydrofuran
  • Tertiary alcohol
  • Organoheterocyclic compound
  • Ether
  • Dialkyl ether
  • Oxacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
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 IDFDB011307
KNApSAcK IDNot Available
Chemspider ID35013577
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751406
PDB IDNot Available
ChEBI ID175935
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.. .