egonol (CHEBI:69558)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	egonol

ChEBI ID	CHEBI:69558

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O5

Net Charge

Average Mass

326.34320

Monoisotopic Mass

326.11542

InChI

InChI=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

InChIKey

VOLZBKQSLGCZGC-UHFFFAOYSA-N

SMILES

COc1cc(CCCO)cc2cc(oc12)-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):	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	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	7-demethoxyegonol (CHEBI:69557) has functional parent egonol (CHEBI:69558) egonol β-D-glucoside (CHEBI:134480) 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-2ʼʼʼ-methyl butanoate (CHEBI:69550) has functional parent egonol (CHEBI:69558) egonol-2-methylpropanoate (CHEBI:69554) 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-benzofuranpropanol	HMDB

Registry Number	Type	Source
336565	Reaxys Registry Number	Reaxys

Last Modified

03 July 2017