CHEBI:67451 - ananolignan N

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ChEBI Name ananolignan N
ChEBI ID CHEBI:67451
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 C32H40O10
Net Charge 0
Average Mass 584.65400
Monoisotopic Mass 584.26215
InChI InChI=1S/C32H40O10/c1-10-12-23(33)41-26-17(4)18(5)27(42-32(34)16(3)11-2)19-13-21(35-6)28(36-7)30(37-8)24(19)25-20(26)14-22-29(31(25)38-9)40-15-39-22/h11,13-14,17-18,26-27H,10,12,15H2,1-9H3/b16-11-/t17-,18+,26-,27-/m1/s1
InChIKey YWOQCMUIZIFGSH-NWTVNDALSA-N
SMILES CCCC(=O)O[C@@H]1[C@H](C)[C@H](C)[C@@H](OC(=O)C(\C)=C/C)c2cc(OC)c(OC)c(OC)c2-c2c1cc1OCOc1c2OC
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 N (CHEBI:67451) has functional parent angelic acid (CHEBI:36431)
ananolignan N (CHEBI:67451) has role metabolite (CHEBI:25212)
ananolignan N (CHEBI:67451) has role plant metabolite (CHEBI:76924)
ananolignan N (CHEBI:67451) is a aromatic ether (CHEBI:35618)
ananolignan N (CHEBI:67451) is a butyrate ester (CHEBI:50477)
ananolignan N (CHEBI:67451) is a enoate ester (CHEBI:51702)
ananolignan N (CHEBI:67451) is a lignan (CHEBI:25036)
ananolignan N (CHEBI:67451) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan N (CHEBI:67451) is a oxacycle (CHEBI:38104)
IUPAC Name
(5R,6S,7R,8R)-8-(butyryloxy)-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 (2Z)-2-methylbut-2-enoate
Registry Number Type Source
21534269 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013