CHEBI:67442 - ananolignan E

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ChEBI Name ananolignan E
ChEBI ID CHEBI:67442
Definition A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H30O9
Net Charge 0
Average Mass 474.50030
Monoisotopic Mass 474.18898
InChI InChI=1S/C25H30O9/c1-11-12(2)21(34-13(3)26)15-9-16(28-4)22(29-5)24(30-6)19(15)18-14(20(11)27)8-17-23(25(18)31-7)33-10-32-17/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21-/m1/s1
InChIKey PPTXQFNYNVVYPV-HBJRXTQZSA-N
SMILES COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Metabolite of Species Details
Kadsura ananosma (NCBI:txid133441) Found in seed (BTO:0001226). 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 ananolignan E (CHEBI:67442) has role metabolite (CHEBI:25212)
ananolignan E (CHEBI:67442) has role plant metabolite (CHEBI:76924)
ananolignan E (CHEBI:67442) is a acetate ester (CHEBI:47622)
ananolignan E (CHEBI:67442) is a aromatic ether (CHEBI:35618)
ananolignan E (CHEBI:67442) is a lignan (CHEBI:25036)
ananolignan E (CHEBI:67442) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan E (CHEBI:67442) is a oxacycle (CHEBI:38104)
ananolignan E (CHEBI:67442) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5R,6S,7R,8R)-8-hydroxy-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 acetate
Registry Number Type Source
21534260 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013