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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:35:17 UTC
Update Date2022-03-07 02:54:12 UTC
HMDB IDHMDB0034688
Secondary Accession Numbers
  • HMDB34688
Metabolite Identification
Common Name2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one
Description2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one has been detected, but not quantified in, fruits. This could make 2,3-dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC19H14O3
Average Molecular Weight290.3127
Monoisotopic Molecular Weight290.094294314
IUPAC Name2,3-dihydroxy-9-phenyl-2,3-dihydro-1H-phenalen-1-one
Traditional Name2,3-dihydroxy-9-phenyl-2,3-dihydrophenalen-1-one
CAS Registry NumberNot Available
SMILES
OC1C(O)C2=CC=CC3=C2C(C1=O)=C(C=C3)C1=CC=CC=C1
InChI Identifier
InChI=1S/C19H14O3/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(21)19(17)22/h1-10,17,19-20,22H
InChI KeyXCXWPSAMZIDDPC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassPhenylnaphthalenes
Direct ParentPhenylnaphthalenes
Alternative Parents
Substituents
  • Phenylnaphthalene
  • Phenalane
  • Aryl alkyl ketone
  • Aryl ketone
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Ketone
  • 1,2-diol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic 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
  • 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 IDFDB013218
KNApSAcK IDNot Available
Chemspider ID35013772
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85308851
PDB IDNot Available
ChEBI ID174076
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.. .