CHEBI:86593 - buddlenol E

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ChEBI Name buddlenol E
ChEBI ID CHEBI:86593
Definition A lignan isolated from the seeds of Euryale ferox.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H36O11
Net Charge 0
Average Mass 584.61090
Monoisotopic Mass 584.22576
InChI InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3
InChIKey DVTIDVKFFJRCAB-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)C(O)C(CO)Oc1c(OC)cc(cc1OC)C1OCC2C1COC2c1ccc(O)c(OC)c1
Metabolite of Species Details
Euryale ferox (NCBI:txid4414) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 buddlenol E (CHEBI:86593) has role antioxidant (CHEBI:22586)
buddlenol E (CHEBI:86593) has role plant metabolite (CHEBI:76924)
buddlenol E (CHEBI:86593) is a guaiacols (CHEBI:134251)
buddlenol E (CHEBI:86593) is a lignan (CHEBI:25036)
IUPAC Name
1-(4-hydroxy-3-methoxyphenyl)-2-{4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
Synonym Source
G(8-O-4)S(8-8)G ChEBI
Registry Number Type Source
6553466 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21280632 PubMed citation Europe PMC
21675726 PubMed citation Europe PMC
24022762 PubMed citation Europe PMC
Last Modified
07 April 2017