(+)-kotanin (CHEBI:64454)

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ChEBI Name	(+)-kotanin

ChEBI ID	CHEBI:64454

Definition	A member of the class of 8,8'-bicoumarins resulting from the formal oxidative dimerisation of 4,7-dimethoxy-5-methyl-2H-chromen-2-one (the S-(+) enantiomer). A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971.

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

Supplier Information

Download	Molfile XML SDF

Formula

C24H22O8

Net Charge

Average Mass

438.42670

Monoisotopic Mass

438.13147

InChI

InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3

InChIKey

CSJOUDOXDHMIAH-UHFFFAOYSA-N

SMILES

COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(OC)cc(C)c2c(OC)cc(=O)oc12

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(+)-kotanin (CHEBI:64454) has functional parent orlandin (CHEBI:64473) (+)-kotanin (CHEBI:64454) has role metabolite (CHEBI:25212) (+)-kotanin (CHEBI:64454) is a 8,8'-bicoumarins (CHEBI:64462)

IUPAC Name

(P)-(+)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione

Synonyms	Sources
(+)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione	ChEBI
(aS)-(+)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione	ChEBI
(P)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione	ChEBI
(S)-(+)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione	ChEBI
(S)-4,4',7,7'-tetramethoxy-5,5'-dimethyl-2H,2'H-8,8'-bichromene-2,2'-dione	ChEBI
kotanin	ChemIDplus

Last Modified

01 May 2012