7-demethoxyegonol (CHEBI:69557)

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ChEBI Name	7-demethoxyegonol

ChEBI ID	CHEBI:69557

Definition	A member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O4

Net Charge

Average Mass

296.31720

Monoisotopic Mass

296.10486

InChI

InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2

InChIKey

YQEPMZLWYOAQNI-UHFFFAOYSA-N

SMILES

OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1

Metabolite of Species	Details
Styrax agrestis (NCBI:txid153522)	Found in ripe fruit (PO:0007038). Dried, powdered fruits were extracted with ethylacetate. See: PubMed

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. 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	7-demethoxyegonol (CHEBI:69557) has functional parent egonol (CHEBI:69558) 7-demethoxyegonol (CHEBI:69557) has parent hydride 1-benzofuran (CHEBI:35260) 7-demethoxyegonol (CHEBI:69557) has role metabolite (CHEBI:25212) 7-demethoxyegonol (CHEBI:69557) has role plant metabolite (CHEBI:76924) 7-demethoxyegonol (CHEBI:69557) is a 1-benzofurans (CHEBI:38830) 7-demethoxyegonol (CHEBI:69557) is a benzodioxoles (CHEBI:38298) 7-demethoxyegonol (CHEBI:69557) is a primary alcohol (CHEBI:15734)

IUPAC Name

3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

Synonyms	Sources
5-(3-hydroxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuran	ChEBI
demethoxyegonol	ChEBI

Registry Number	Type	Source
1390615	Reaxys Registry Number	Reaxys

Citation	Type	Source
21939219	PubMed citation	Europe PMC

Last Modified

02 December 2013