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CHEBI:69100 - licoarylcoumarin

ChEBI IDCHEBI:69100
ChEBI Namelicoarylcoumarin
Stars
DefinitionA member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a 2-methylbut-3-en-2yl group at position 8 and a 2,4-dihydroxyphenyl group at position 3. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESC=CC(C)(C)c1c(O)cc(OC)c2cc(-c3ccc(O)cc3O)c(=O)oc12
InChIInChI=1S/C21H20O6/c1-5-21(2,3)18-16(24)10-17(26-4)14-9-13(20(25)27-19(14)18)12-7-6-11(22)8-15(12)23/h5-10,22-24H,1H2,2-4H3
InChIKeyLCRIQVFKVCYUAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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.
ChEBI Ontology
Outgoing Relation(s)
licoarylcoumarin (CHEBI:69100) has functional parent coumarin (CHEBI:28794)
licoarylcoumarin (CHEBI:69100) has role plant metabolite (CHEBI:76924)
licoarylcoumarin (CHEBI:69100) is a aromatic ether (CHEBI:35618)
licoarylcoumarin (CHEBI:69100) is a coumarins (CHEBI:23403)
licoarylcoumarin (CHEBI:69100) is a resorcinols (CHEBI:33572)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(2-methylbut-3-en-2-yl)-2H-chromen-2-one
Manual XrefsDatabases
LMPK12160019LIPID MAPS
Registry NumbersSources
Reaxys:6005814Reaxys
Citations