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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:16:22 UTC
Update Date2022-03-07 02:53:45 UTC
HMDB IDHMDB0033535
Secondary Accession Numbers
  • HMDB33535
Metabolite Identification
Common NameHonyudisin
DescriptionHonyudisin belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Honyudisin has been detected, but not quantified in, citrus. This could make honyudisin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Honyudisin.
Structure
Data?1563862421
Synonyms
ValueSource
5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9ciHMDB
Chemical FormulaC19H20O4
Average Molecular Weight312.3597
Monoisotopic Molecular Weight312.136159128
IUPAC Name5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H,8H-pyrano[2,3-f]chromen-2-one
Traditional Name5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-2-one
CAS Registry Number114542-45-9
SMILES
CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC(=O)C=CC2=C1O
InChI Identifier
InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
InChI KeyQMEMHCMQAQFMEL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassPyranocoumarins
Direct ParentAngular pyranocoumarins
Alternative Parents
Substituents
  • Angular pyranocoumarin
  • Pyranochromene
  • 2,2-dimethyl-1-benzopyran
  • Benzopyran
  • 1-benzopyran
  • Alkyl aryl ether
  • Pyranone
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Lactone
  • Oxacycle
  • Ether
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point179 - 180 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.93 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 IDFDB011595
KNApSAcK IDC00056504
Chemspider ID30777018
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13965870
PDB IDNot Available
ChEBI ID174996
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1836491
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.. .

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Honyudisin → 6-{[8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2-oxo-2H,8H-pyrano[2,3-h]chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails