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CHEBI:65976 - glycyrrhizol A

ChEBI IDCHEBI:65976
ChEBI Nameglycyrrhizol A
Stars
DefinitionA member of the class of coumestans that is 3,4-didehydroterocarpan substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 5'. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity.
Last Modified12 June 2015
DownloadsMolfile

FormulaC26H28O5
Net Charge0
Average Mass420.505
Monoisotopic Mass420.19367
SMILESCOc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)c(CC=C(C)C)cc3c1CO2
InChIInChI=1S/C26H28O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,27-28H,8-9,13H2,1-5H3
InChIKeyCBPFOSMNDISZLV-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (16441081)
Roles Classification

ChEBI Ontology
IUPAC Name 
1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonym  Source
7,4'-dihydroxy-5-methoxy-6,5'-di(3,3-dimethylallyl)-pterocarpeneChEBI
Manual XrefsDatabases
GlycyrrhizolWikipedia
Registry NumbersSources
Reaxys:18589784Reaxys
Citations