Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:32 UTC
Update Date2022-03-07 02:52:35 UTC
HMDB IDHMDB0030545
Secondary Accession Numbers
  • HMDB30545
Metabolite Identification
Common Name5-Hydroxy-7,8-dimethoxyflavonol
Description5-Hydroxy-7,8-dimethoxyflavonol, also known as gnaphaliin b, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 5-hydroxy-7,8-dimethoxyflavonol is considered to be a flavonoid. Based on a literature review very few articles have been published on 5-Hydroxy-7,8-dimethoxyflavonol.
Structure
Thumb
Synonyms
ValueSource
3,5-Dihydroxy-7,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-oneHMDB
3,5-Dihydroxy-7,8-dimethoxy-2-phenyl-chromen-4-oneHMDB
3,5-Dihydroxy-7,8-dimethoxyflavoneHMDB
Gnaphaliin bHMDB
Chemical FormulaC17H14O6
Average Molecular Weight314.2895
Monoisotopic Molecular Weight314.07903818
IUPAC Name3,5-dihydroxy-7,8-dimethoxy-2-phenyl-4H-chromen-4-one
Traditional Name3,5-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one
CAS Registry Number22399-73-1
SMILES
COC1=C(OC)C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=CC=C1
InChI Identifier
InChI=1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3
InChI KeyCILMBWBPHLLNEH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 7-methoxyflavonoid-skeleton
  • 3-hydroxyflavone
  • 8-methoxyflavonoid-skeleton
  • 3-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Ether
  • Organoheterocyclic compound
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point204 - 205 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility89.93 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 IDFDB002419
KNApSAcK IDC00004557
Chemspider ID4590716
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5491798
PDB IDNot Available
ChEBI ID664034
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1820891
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.. .