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CHEBI:80839 - isoliquiritin

ChEBI IDCHEBI:80839
ChEBI Nameisoliquiritin
Stars
DefinitionA monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2' and 4' and a β-D-glucopyranosyloxy group at position 4 respectively.
Last Modified8 June 2015
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESO=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
InChIKeyYNWXJFQOCHMPCK-LXGDFETPSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza glabra (ncbitaxon:49827) - PubMed (23325115)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
isoliquiritin (CHEBI:80839) has functional parent trans-chalcone (CHEBI:48965)
isoliquiritin (CHEBI:80839) has role antineoplastic agent (CHEBI:35610)
isoliquiritin (CHEBI:80839) has role plant metabolite (CHEBI:76924)
isoliquiritin (CHEBI:80839) is a chalcones (CHEBI:23086)
isoliquiritin (CHEBI:80839) is a monosaccharide derivative (CHEBI:63367)
isoliquiritin (CHEBI:80839) is a resorcinols (CHEBI:33572)
isoliquiritin (CHEBI:80839) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside
Synonym  Source
4-β-D-glucopyranosyloxy-2',4'-dihydroxy-trans-chalconeChEBI
Manual XrefsDatabases
C16978KEGG COMPOUND
LMPK12120021LIPID MAPS
HMDB0037318HMDB
Registry NumbersSources
Reaxys:59159Reaxys
CAS:5041-81-6KEGG COMPOUND
Citations