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CHEBI:67449 - ananolignan L

ChEBI IDCHEBI:67449
ChEBI Nameananolignan L
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H36O10
Net Charge0
Average Mass556.608
Monoisotopic Mass556.23085
SMILESC/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C30H36O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)19-12-21-27(38-13-37-21)29(36-9)23(19)22-18(25)11-20(33-6)26(34-7)28(22)35-8/h10-12,15-16,24-25H,13H2,1-9H3/b14-10+/t15-,16+,24-,25-/m1/s1
InChIKeyHIGLJZHMTBHEQS-ULEIZWEFSA-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 L (CHEBI:67449) has functional parent tiglic acid (CHEBI:9592)
ananolignan L (CHEBI:67449) has role neuroprotective agent (CHEBI:63726)
ananolignan L (CHEBI:67449) has role plant metabolite (CHEBI:76924)
ananolignan L (CHEBI:67449) is a acetate ester (CHEBI:47622)
ananolignan L (CHEBI:67449) is a aromatic ether (CHEBI:35618)
ananolignan L (CHEBI:67449) is a enoate ester (CHEBI:51702)
ananolignan L (CHEBI:67449) is a lignan (CHEBI:25036)
ananolignan L (CHEBI:67449) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan L (CHEBI:67449) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5R,6S,7R,8R)-8-acetoxy-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]dioxol-5-yl (2E)-2-methylbut-2-enoate
Registry NumbersSources
Reaxys:21534267Reaxys
Citations