licoarylcoumarin (CHEBI:69100)

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ChEBI Name	licoarylcoumarin

ChEBI ID	CHEBI:69100

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O6

Net Charge

Average Mass

368.37990

Monoisotopic Mass

368.12599

InChI

InChI=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

InChIKey

LCRIQVFKVCYUAO-UHFFFAOYSA-N

SMILES

COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C

Metabolite of Species	Details
Glycyrrhiza uralensis (NCBI:txid74613)	Found in root (BTO:0001188). Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier 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.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
6005814	Reaxys Registry Number	Reaxys

Last Modified

16 January 2014