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CHEBI:69558 - egonol

Default Structure
ChEBI IDCHEBI:69558
ChEBI Nameegonol
Stars
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis.
Last Modified3 July 2017
DownloadsMolfile
FormulaC19H18O5
Net Charge0
Average Mass326.348
Monoisotopic Mass326.11542
SMILESCOc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12
InChIInChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3
InChIKeyVOLZBKQSLGCZGC-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 Role:
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)
egonol (CHEBI:69558) has parent hydride 1-benzofuran (CHEBI:35260)
egonol (CHEBI:69558) has role plant metabolite (CHEBI:76924)
egonol (CHEBI:69558) is a 1-benzofurans (CHEBI:38830)
egonol (CHEBI:69558) is a aromatic ether (CHEBI:35618)
egonol (CHEBI:69558) is a benzodioxoles (CHEBI:38298)
egonol (CHEBI:69558) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
7-demethoxyegonol (CHEBI:69557) has functional parent egonol (CHEBI:69558)
egonol acetate (CHEBI:69556) has functional parent egonol (CHEBI:69558)
egonol oleate (CHEBI:69548) has functional parent egonol (CHEBI:69558)
egonol β-D-glucoside (CHEBI:134480) has functional parent egonol (CHEBI:69558)
egonol-2-methylpropanoate (CHEBI:69554) has functional parent egonol (CHEBI:69558)
egonol-2'''-methyl butanoate (CHEBI:69550) has functional parent egonol (CHEBI:69558)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) has functional parent egonol (CHEBI:69558)
egonolbutanoate (CHEBI:69555) has functional parent egonol (CHEBI:69558)
egonolpropanoate (CHEBI:69553) has functional parent egonol (CHEBI:69558)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
Synonym  Source
2-(1,3-benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanolHMDB
Manual XrefsDatabases
HMDB0034279HMDB
KR20090099899Patent
Registry NumbersSources
Reaxys:336565Reaxys
Citations