4-methylumbelliferyl glucoside (PAMDB120571)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120571
Identification
Name: 4-methylumbelliferyl glucoside
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 4-MU-glucoside
Chemical Formula: C16H18O8
Average Molecular Weight: 338.313
Monoisotopic Molecular Weight: 338.10016
InChI Key: YUDPTGPSBJVHCN-YMILTQATSA-N
InChI:InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC3(C2(C=CC(OC1(OC(CO)C(O)C(O)C(O)1))=CC=2OC(=O)C=3))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
Kingdom Organic compounds
Super ClassPhenylpropanoids and polyketides
Class Coumarins and derivatives
Sub ClassCoumarin glycosides
Direct Parent Coumarin glycosides
Alternative Parents
Substituents
  • Coumarin-7-o-glycoside
  • Coumarin o-glycoside
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Pyranone
  • Monosaccharide
  • Oxane
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Lactone
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (CPD-11641)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight338.312 g/molPubChem
XLogP3-0.8 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count3 PubChem
Exact Mass338.1 g/molPubChem
Monoisotopic Mass338.1 g/molPubChem
Topological Polar Surface Area126 A^2PubChem
Heavy Atom Count24 PubChem
Formal Charge0 PubChem
Complexity506 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count5 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
4-methylumbelliferyl glucoside + Water → 4-methylumbelliferone + b-D-Glucose
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEMSPIDER2015550
    PUBCHEM2733779