cajanol (CHEBI:70034)

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ChEBI Name	cajanol

ChEBI ID	CHEBI:70034

Definition	A hydroxyisoflavanone that is (3S)-isoflavanone substituted by hydroxy groups at positions 5 and 4' and methoxy groups at positions 7 and 2' respectively. It has been isolated from Crotalaria lachnophora.

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

Secondary ChEBI IDs	CHEBI:3298

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O6

Net Charge

Average Mass

316.30530

Monoisotopic Mass

316.09469

InChI

InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3/t12-/m1/s1

InChIKey

RYYWWFXWFMYKJM-GFCCVEGCSA-N

SMILES

COc1cc(O)c2C(=O)[C@H](COc2c1)c1ccc(O)cc1OC

Metabolite of Species	Details
Crotalaria lachnophora (IPNI:488342-1)	Found in whole plant (BTO:0001461). Chloroform soluble fraction of CH2Cl2/MeOH (1:1) crude extract of dried and powdered whole plant 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	cajanol (CHEBI:70034) has functional parent (3S)-isoflavanone (CHEBI:85935) cajanol (CHEBI:70034) has role plant metabolite (CHEBI:76924) cajanol (CHEBI:70034) is a hydroxyisoflavanone (CHEBI:72739) cajanol (CHEBI:70034) is a methoxyisoflavanone (CHEBI:72740)

IUPAC Name

(3S)-5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one

Citation	Type	Source
21265557	PubMed citation	Europe PMC

Last Modified

04 June 2015