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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:47:41 UTC
Update Date2022-03-07 02:56:54 UTC
HMDB IDHMDB0041141
Secondary Accession Numbers
  • HMDB41141
Metabolite Identification
Common NameMarshdine
DescriptionMarshdine belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Marshdine has been detected, but not quantified in, citrus. This could make marshdine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Marshdine.
Structure
Thumb
Synonyms
ValueSource
1-Hydroxy-3-methoxy-10-methyl-5,6-methylenedioxyacridoneHMDB
2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanoneHMDB
Chemical FormulaC16H13NO5
Average Molecular Weight299.2781
Monoisotopic Molecular Weight299.079372531
IUPAC Name7-hydroxy-9-methoxy-11-methyl-2H,6H,11H-[1,3]dioxolo[4,5-c]acridin-6-one
Traditional Name7-hydroxy-9-methoxy-11-methyl-2H-[1,3]dioxolo[4,5-c]acridin-6-one
CAS Registry Number160927-87-7
SMILES
COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OCO2)C=C1
InChI Identifier
InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3
InChI KeyHIDPWENUZOGSOF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassBenzoquinolines
Direct ParentAcridones
Alternative Parents
Substituents
  • Acridone
  • Dihydroquinolone
  • Dihydroquinoline
  • Benzodioxole
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyridine
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Vinylogous acid
  • Acetal
  • Ether
  • Oxacycle
  • Azacycle
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • 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 Point210 - 213 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility10.03 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
  • Cytoplasm
  • Extracellular
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 IDFDB021027
KNApSAcK IDC00024264
Chemspider ID30777539
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131753041
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1889911
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.. .