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CHEBI:69549 - 7-demethoxyegonol oleate

ChEBI IDCHEBI:69549
ChEBI Name7-demethoxyegonol oleate
Stars
DefinitionA fatty acid ester that is egonol oleate in which the methoxy group at position 7 is replaced by a hydrogen. Isolated from the fruits of Styrax agrestis, it exhibits inhibitory activity against acetylcholinesterase.
Last Modified9 January 2014
DownloadsMolfile
FormulaC36H48O5
Net Charge0
Average Mass560.775
Monoisotopic Mass560.35017
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h9-10,20-23,25-27H,2-8,11-19,24,28H2,1H3/b10-9-
InChIKeyGIGIGVBVJACSBJ-KTKRTIGZSA-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.
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
ChEBI Ontology
Outgoing Relation(s)
7-demethoxyegonol oleate (CHEBI:69549) has functional parent egonol oleate (CHEBI:69548)
7-demethoxyegonol oleate (CHEBI:69549) has parent hydride 1-benzofuran (CHEBI:35260)
7-demethoxyegonol oleate (CHEBI:69549) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
7-demethoxyegonol oleate (CHEBI:69549) has role plant metabolite (CHEBI:76924)
7-demethoxyegonol oleate (CHEBI:69549) is a 1-benzofurans (CHEBI:38830)
7-demethoxyegonol oleate (CHEBI:69549) is a benzodioxoles (CHEBI:38298)
7-demethoxyegonol oleate (CHEBI:69549) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (9Z)-octadec-9-enoate
Registry NumbersSources
Reaxys:22007794Reaxys
Citations