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CHEBI:67443 - ananolignan F

ChEBI IDCHEBI:67443
ChEBI Nameananolignan F
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified9 January 2014
DownloadsMolfile
FormulaC27H32O10
Net Charge0
Average Mass516.543
Monoisotopic Mass516.19955
SMILESCOc1c(OC)c2c(cc1OC)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](OC(C)=O)c1cc3c(c(OC)c1-2)OCO3
InChIInChI=1S/C27H32O10/c1-12-13(2)23(37-15(4)29)17-10-19-25(35-11-34-19)27(33-8)21(17)20-16(22(12)36-14(3)28)9-18(30-5)24(31-6)26(20)32-7/h9-10,12-13,22-23H,11H2,1-8H3/t12-,13+,22+,23+/m0/s1
InChIKeyJFBLYFBBLCKNMR-LPWDXZGXSA-N
Species of MetaboliteComponentSourceComments
Kadsura ananosma (ncbitaxon:133441) seed (BTO:0001226) PubMed (21381710) 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
ananolignan F (CHEBI:67443) has role neuroprotective agent (CHEBI:63726)
ananolignan F (CHEBI:67443) has role plant metabolite (CHEBI:76924)
ananolignan F (CHEBI:67443) is a acetate ester (CHEBI:47622)
ananolignan F (CHEBI:67443) is a aromatic ether (CHEBI:35618)
ananolignan F (CHEBI:67443) is a lignan (CHEBI:25036)
ananolignan F (CHEBI:67443) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan F (CHEBI:67443) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5R,6S,7R,8R)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-5,8-diyl diacetate
Registry NumbersSources
Reaxys:21534261Reaxys
Citations