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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:38:27 UTC
Update Date2023-02-21 17:19:40 UTC
HMDB IDHMDB0030692
Secondary Accession Numbers
  • HMDB30692
Metabolite Identification
Common Name8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
Description8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one, also known as 8-hydroxy-7-methoxycoumarin or daphnetin-7-methyl ether, belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Based on a literature review very few articles have been published on 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one.
Structure
Thumb
Synonyms
ValueSource
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one, 9ciHMDB
8-Hydroxy-7-methoxycoumarinHMDB
8-Hydroxy-7-methoxycoumarin, 8ciHMDB
Daphnetin-7-methyl etherHMDB
Daphnetin-7-methyletherHMDB
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-oneMeSH
Chemical FormulaC10H8O4
Average Molecular Weight192.1681
Monoisotopic Molecular Weight192.042258744
IUPAC Name8-hydroxy-7-methoxy-2H-chromen-2-one
Traditional Name8-hydroxy-7-methoxychromen-2-one
CAS Registry Number19492-03-6
SMILES
COC1=C(O)C2=C(C=CC(=O)O2)C=C1
InChI Identifier
InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
InChI KeyKIGCGZUAVODHMD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassHydroxycoumarins
Direct ParentHydroxycoumarins
Alternative Parents
Substituents
  • Hydroxycoumarin
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Lactone
  • Ether
  • Oxacycle
  • 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
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point173 - 174 °CNot Available
Boiling Point381.90 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility8879 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.620 (est)The Good Scents Company Information System
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 IDFDB002612
KNApSAcK IDNot Available
Chemspider ID129207
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound146487
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1701231
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
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one → 3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-2H-chromen-8-yl)oxy]oxane-2-carboxylic aciddetails