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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:02:40 UTC
Update Date2022-03-07 02:53:40 UTC
HMDB IDHMDB0033329
Secondary Accession Numbers
  • HMDB33329
Metabolite Identification
Common NameCoriandrin
DescriptionCoriandrin belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Coriandrin has been detected, but not quantified in, corianders (Coriandrum sativum) and herbs and spices. This could make coriandrin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Coriandrin.
Structure
Thumb
Synonyms
ValueSource
4-Methoxy-7-methyl-5H-furo(2,3-g)(2)benzopyran-5-oneHMDB
4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-oneHMDB
4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9ciHMDB
CoriandrinMeSH
Chemical FormulaC13H10O4
Average Molecular Weight230.2161
Monoisotopic Molecular Weight230.057908808
IUPAC Name4-methoxy-7-methyl-5H-furo[2,3-g]isochromen-5-one
Traditional Name4-methoxy-7-methylfuro[2,3-g]isochromen-5-one
CAS Registry Number116408-80-1
SMILES
COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2
InChI Identifier
InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3
InChI KeyBUZQIMYNOWPYHH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsocoumarins and derivatives
Sub ClassNot Available
Direct ParentIsocoumarins and derivatives
Alternative Parents
Substituents
  • Isocoumarin
  • Benzopyran
  • 2-benzopyran
  • Benzofuran
  • Anisole
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Furan
  • Vinylogous ester
  • Lactone
  • Oxacycle
  • Ether
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen 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 Point142 - 143 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility96.4 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 IDFDB011356
KNApSAcK IDC00054278
Chemspider ID106782
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound119586
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1834861
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hudson JB, Graham EA, Harris L, Ashwood-Smith MJ: The unusual UVA-dependent antiviral properties of the furoisocoumarin, coriandrin. Photochem Photobiol. 1993 Mar;57(3):491-6. [PubMed:8475184 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .