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CHEBI:80832 - glycyrol

ChEBI IDCHEBI:80832
ChEBI Nameglycyrol
Stars
DefinitionA member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively.
Last Modified12 June 2015
DownloadsMolfile
FormulaC21H18O6
Net Charge0
Average Mass366.369
Monoisotopic Mass366.11034
SMILESCOc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
InChIInChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
InChIKeyLWESBHWAOZORCQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) - PubMed (25445757)
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)
glycyrol (CHEBI:80832) has functional parent coumestan (CHEBI:72578)
glycyrol (CHEBI:80832) has role antineoplastic agent (CHEBI:35610)
glycyrol (CHEBI:80832) has role plant metabolite (CHEBI:76924)
glycyrol (CHEBI:80832) is a aromatic ether (CHEBI:35618)
glycyrol (CHEBI:80832) is a coumestans (CHEBI:72577)
glycyrol (CHEBI:80832) is a polyphenol (CHEBI:26195)
glycyrol (CHEBI:80832) is a δ-lactone (CHEBI:18946)
IUPAC Name 
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
Synonyms  Source
NeoglycyrolKEGG COMPOUND
1,9-Dihydroxy-3-methoxy-2-prenylcoumestanKNApSAcK
Manual XrefsDatabases
C16968KEGG COMPOUND
C00009777KNApSAcK
LMPK12090044LIPID MAPS
HMDB0033882HMDB
Registry NumbersSources
CAS:23013-84-5KEGG COMPOUND
Citations