EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69549 - 7-demethoxyegonol oleate

Default Structure
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:
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.
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 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