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CHEBI:65977 - glycyrrhizol B

Default Structure
ChEBI IDCHEBI:65977
ChEBI Nameglycyrrhizol B
Stars
DefinitionAn organic heteropentacyclic compound that is 2H-pyrano[3',4',5'',6'']-pterocarpene substituted by a hydroxy group at position 7, a methoxy group at position 5 and geminal methyl groups at position 2''. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity.
Last Modified19 March 2013
DownloadsMolfile
FormulaC21H18O5
Net Charge0
Average Mass350.370
Monoisotopic Mass350.11542
SMILESCOc1cc(O)cc2c1-c1oc3c4c(ccc3c1CO2)OC(C)(C)C=C4
InChIInChI=1S/C21H18O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,22H,10H2,1-3H3
InChIKeyBKLGAGSBCOUJGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (16441081)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
glycyrrhizol B (CHEBI:65977) has role antibacterial agent (CHEBI:33282)
glycyrrhizol B (CHEBI:65977) has role metabolite (CHEBI:25212)
glycyrrhizol B (CHEBI:65977) is a ether (CHEBI:25698)
glycyrrhizol B (CHEBI:65977) is a organic heteropentacyclic compound (CHEBI:38164)
glycyrrhizol B (CHEBI:65977) is a phenols (CHEBI:33853)
IUPAC Name 
12-methoxy-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']dichromen-10-ol
Synonym  Source
7-hydroxy-5-methoxy-2'',2''-dimethyl-2H-pyrano[3',4',5'',6'']-pterocarpeneChEBI
Registry NumbersSources
Reaxys:18589783Reaxys
Citations