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CHEBI:69557 - 7-demethoxyegonol

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:
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 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