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CHEBI:69557 - 7-demethoxyegonol

Default Structure
ChEBI IDCHEBI:69557
ChEBI Name7-demethoxyegonol
Stars
DefinitionA 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.
Last Modified2 December 2013
DownloadsMolfile
FormulaC18H16O4
Net Charge0
Average Mass296.322
Monoisotopic Mass296.10486
SMILESOCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=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
InChIKeyYQEPMZLWYOAQNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Styrax agrestis (ncbitaxon:153522) ripe fruit (PO:0007038) PubMed (21939219) Dried, powdered fruits were extracted with ethylacetate.
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
5-(3-hydroxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuranChEBI
demethoxyegonolChEBI
Registry NumbersSources
Reaxys:1390615Reaxys
Citations