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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 11:13:20 UTC
Update Date2021-09-24 11:13:20 UTC
HMDB IDHMDB0304626
Secondary Accession NumbersNone
Metabolite Identification
Common NameCowagarcinone B
Description1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. Based on a literature review very few articles have been published on 1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one.
Structure
Thumb
Synonyms
ValueSource
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-onePhytoBank
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)xanthonePhytoBank
Chemical FormulaC20H20O6
Average Molecular Weight356.374
Monoisotopic Molecular Weight356.125988364
IUPAC Name1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Traditional Name1,6-dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one
CAS Registry NumberNot Available
SMILES
COC1=C(O)C=C2OC3=CC(OC)=C(CC=C(C)C)C(O)=C3C(=O)C2=C1
InChI Identifier
InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-17-18(19(11)22)20(23)12-7-16(25-4)13(21)8-15(12)26-17/h5,7-9,21-22H,6H2,1-4H3
InChI KeyVEQACXWBQPLDPZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct Parent2-prenylated xanthones
Alternative Parents
Substituents
  • 2-prenylated xanthone
  • Chromone
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 LocationsNot Available
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 IDFDB093577
KNApSAcK IDC00034759
Chemspider ID4475746
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5316764
PDB IDNot Available
ChEBI IDNot Available
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 ReferencesNot Available