CHEBI:69546 - egonol-9(Z),12(Z)linoleate

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ChEBI Name egonol-9(Z),12(Z)linoleate
ChEBI ID CHEBI:69546
ChEBI ASCII Name egonol-9(Z),12(Z)linoleate
Definition A fatty acid ester obtained by the formal condensation of egonol with linoleic acid. 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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C37H48O6
Net Charge 0
Average Mass 588.77340
Monoisotopic Mass 588.34509
InChI InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-
InChIKey NHCDDUNWYVJRPS-NQLNTKRDSA-N
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(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 egonol-9(Z),12(Z)linoleate (CHEBI:69546) has functional parent egonol (CHEBI:69558)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) has functional parent linoleic acid (CHEBI:17351)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) has parent hydride 1-benzofuran (CHEBI:35260)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) has role plant metabolite (CHEBI:76924)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) is a 1-benzofurans (CHEBI:38830)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) is a aromatic ether (CHEBI:35618)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) is a benzodioxoles (CHEBI:38298)
egonol-9(Z),12(Z)linoleate (CHEBI:69546) is a polyunsaturated fatty ester (CHEBI:145039)
Incoming 7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has functional parent egonol-9(Z),12(Z)linoleate (CHEBI:69546)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (9Z,12Z)-octadeca-9,12-dienoate
Registry Number Type Source
22007796 Reaxys Registry Number Reaxys
Citation Type Source
21939219 PubMed citation Europe PMC
Last Modified
07 October 2019