glycyrol (CHEBI:80832)

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ChEBI Name	glycyrol

ChEBI ID	CHEBI:80832

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C21H18O6

Net Charge

Average Mass

366.36400

Monoisotopic Mass

366.11034

InChI

InChI=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

InChIKey

LWESBHWAOZORCQ-UHFFFAOYSA-N

SMILES

COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12

Metabolite of Species	Details
Glycyrrhiza uralensis (NCBI:txid74613)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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 δ-lactone (CHEBI:18946) 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)

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	Sources
1,9-Dihydroxy-3-methoxy-2-prenylcoumestan	KNApSAcK
Neoglycyrol	KEGG COMPOUND

Registry Number	Type	Source
23013-84-5	CAS Registry Number	KEGG COMPOUND

Last Modified

12 June 2015