CHEBI:69547 - 7-demethoxyegonol-9(Z),12(Z)linoleate

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ChEBI Name 7-demethoxyegonol-9(Z),12(Z)linoleate
ChEBI ID CHEBI:69547
ChEBI ASCII Name 7-demethoxyegonol-9(Z),12(Z)linoleate
Definition A fatty acid ester that is egonol-9(Z),12(Z)linoleate 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 ZINC000000004360
Download Molfile XML SDF
Formula C36H46O5
Net Charge 0
Average Mass 558.74740
Monoisotopic Mass 558.33452
InChI InChI=1S/C36H46O5/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/h6-7,9-10,20-23,25-27H,2-5,8,11-19,24,28H2,1H3/b7-6-,10-9-
InChIKey AABHSZUTAUSICN-HZJYTTRNSA-N
SMILES CCCCC\C=C/C\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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has functional parent egonol-9(Z),12(Z)linoleate (CHEBI:69546)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has functional parent linoleic acid (CHEBI:17351)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has parent hydride 1-benzofuran (CHEBI:35260)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has role plant metabolite (CHEBI:76924)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a 1-benzofurans (CHEBI:38830)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a benzodioxoles (CHEBI:38298)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (9Z,12Z)-octadeca-9,12-dienoate
Registry Number Type Source
22007795 Reaxys Registry Number Reaxys
Citation
Last Modified
07 October 2019