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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 11:07:35 UTC
Update Date2021-09-24 11:07:35 UTC
HMDB IDHMDB0304613
Secondary Accession NumbersNone
Metabolite Identification
Common NameTovophyllin A
Description6,8,12-trihydroxy-2,2-dimethyl-7,11-bis(3-methylbut-2-en-1-yl)-2,5-dihydro-1,10-dioxatetraphen-5-one belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-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 6,8,12-trihydroxy-2,2-dimethyl-7,11-bis(3-methylbut-2-en-1-yl)-2,5-dihydro-1,10-dioxatetraphen-5-one.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC28H30O6
Average Molecular Weight462.542
Monoisotopic Molecular Weight462.204238686
IUPAC Name6,8,12-trihydroxy-2,2-dimethyl-7,11-bis(3-methylbut-2-en-1-yl)-2,5-dihydro-1,10-dioxatetraphen-5-one
Traditional Nametovophylline A
CAS Registry NumberNot Available
SMILES
CC(C)=CCC1=C(O)C2=C(OC3=C(CC=C(C)C)C(O)=C4OC(C)(C)C=CC4=C3C2=O)C=C1O
InChI Identifier
InChI=1S/C28H30O6/c1-14(2)7-9-16-19(29)13-20-22(23(16)30)25(32)21-17-11-12-28(5,6)34-27(17)24(31)18(26(21)33-20)10-8-15(3)4/h7-8,11-13,29-31H,9-10H2,1-6H3
InChI KeyADFJMFQSYNRLEH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-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 Parent4-prenylated xanthones
Alternative Parents
Substituents
  • 2-prenylated xanthone
  • 4-prenylated xanthone
  • Pyranoxanthone
  • 2,2-dimethyl-1-benzopyran
  • Chromone
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyran
  • Benzenoid
  • Vinylogous acid
  • Heteroaromatic compound
  • Ether
  • Polyol
  • Oxacycle
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • 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 IDFDB093564
KNApSAcK IDC00032366
Chemspider ID23341774
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound42645954
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