CHEBI:69549 - 7-demethoxyegonol oleate

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ChEBI Name 7-demethoxyegonol oleate
ChEBI ID CHEBI:69549
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000072128478
Download Molfile XML SDF
Formula C36H48O5
Net Charge 0
Average Mass 560.76330
Monoisotopic Mass 560.35017
InChI InChI=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-
InChIKey GIGIGVBVJACSBJ-KTKRTIGZSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-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.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
22007794 Reaxys Registry Number Reaxys
Citation
Last Modified
09 January 2014