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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:34:02 UTC
Update Date2022-03-07 02:52:23 UTC
HMDB IDHMDB0029991
Secondary Accession Numbers
  • HMDB29991
Metabolite Identification
Common NameDulciol C
DescriptionDulciol C belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-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 Dulciol C.
Structure
Data?1563861921
SynonymsNot Available
Chemical FormulaC28H34O7
Average Molecular Weight482.5654
Monoisotopic Molecular Weight482.230453442
IUPAC Name2,3,5,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-4-(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one
Traditional Name2,3,5,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-4-(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)xanthen-9-one
CAS Registry Number175617-25-1
SMILES
CC(C)=CCC1=C(O)C(O)=C(CCC(C)(C)O)C2=C1OC1=C(C(O)=C(C=C1O)C(C)(C)C=C)C2=O
InChI Identifier
InChI=1S/C28H34O7/c1-8-27(4,5)17-13-18(29)26-20(23(17)32)24(33)19-15(11-12-28(6,7)34)21(30)22(31)16(25(19)35-26)10-9-14(2)3/h8-9,13,29-32,34H,1,10-12H2,2-7H3
InChI KeyAIKCUENREJQMNO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-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 Parent8-prenylated xanthones
Alternative Parents
Substituents
  • 4-prenylated xanthone
  • 8-prenylated xanthone
  • Chromone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Pyran
  • Benzenoid
  • Tertiary alcohol
  • Heteroaromatic compound
  • Vinylogous acid
  • Polyol
  • Oxacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • 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 Solubility7.9e-05 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 IDFDB001279
KNApSAcK IDC00037078
Chemspider ID8894936
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10719597
PDB IDNot Available
ChEBI ID169510
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1812831
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.. .