asphodelin A-4'-O-beta-glucoside (PAMDB100065)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB100065
Identification
Name: asphodelin A-4'-O-beta-glucoside
Description:A β-D-glucoside in which a β-D-glucopyranosyl residue is attached at position 4' of asphodelin A via a glycosidic linkage. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial ac
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 3-(2'-hydroxy-
Chemical Formula: C21H20O11
Average Molecular Weight: 448.3769
Monoisotopic Molecular Weight: 448.101
InChI Key: OEZWCAHAQBRTTP-FKRBRYKNSA-N
InChI:InChI=1S/C21H20O11/c22-7-14-17(26)18(27)19(28)21(32-14)30-9-2-4-10(12(24)6-9)15-16(25)11-3-1-8(23)5-13(11)31-20(15)29/h1-6,14,17-19,21-28H,7H2/t14-,17-,18+,19-,21-/m1/s1
CAS number: Not Available
IUPAC Name:4,7-dihydroxy-3-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-2-one
Traditional IUPAC Name: Not Available
SMILES:OC[C@H]1O[C@@H](Oc2ccc(c(O)c2)-c2c(O)c3ccc(O)cc3oc2=O)[C@H](O)[C@@H](O)[C@@H]1O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
Kingdom Organic compounds
Super ClassPhenylpropanoids and polyketides
Class Isoflavonoids
Sub ClassIsoflavonoid O-glycosides
Direct Parent Isoflavonoid O-glycosides
Alternative Parents
Substituents
  • Isoflavonoid o-glycoside
  • Isoflavonoid-4p-o-glycoside
  • Hydroxyisoflavonoid
  • Isoflav-3-enone skeleton
  • Phenolic glycoside
  • 4-hydroxycoumarin
  • 7-hydroxycoumarin
  • Hexose monosaccharide
  • Hydroxycoumarin
  • Coumarin
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Monosaccharide
  • Oxane
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Lactone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • beta-D-glucoside, polyphenol, hydroxycoumarin (CHEBI:65454)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties Not Available
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • El-Seedi HR. Antimicrobial arylcoumarins from Asphodelus microcarpus. J Nat Prod. 2007 Jan;70(1):118-20. Pubmed: 17253862
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links: Not Available