isoderrone (CHEBI:69748)

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ChEBI Name	isoderrone

ChEBI ID	CHEBI:69748

Definition	A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3' and 4' respectively. It has been isolated from Ficus mucuso.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H16O5

Net Charge

Average Mass

336.33800

Monoisotopic Mass

336.09977

InChI

InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3

InChIKey

WTNXJYOYGPGIJK-UHFFFAOYSA-N

SMILES

CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O

Metabolite of Species	Details
Ficus mucuso (NCBI:txid309328)	Found in fruit (BTO:0000486). Methanolic extract of air-dried and powdered figs(fruits) 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	isoderrone (CHEBI:69748) has functional parent isoflavone (CHEBI:18220) isoderrone (CHEBI:69748) has role plant metabolite (CHEBI:76924) isoderrone (CHEBI:69748) is a hydroxyisoflavone (CHEBI:38755)

IUPAC Name

5,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bi-1-benzopyran]-4-one

Synonyms	Sources
3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxychromen-4-one	ChEBI
5,7-dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone	LIPID MAPS

Registry Number	Type	Source
4331090	Reaxys Registry Number	Reaxys

Citation	Type	Source
21619045	PubMed citation	Europe PMC

Last Modified

24 June 2015