CHEBI:67441 - ananolignan D

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ChEBI Name ananolignan D
ChEBI ID CHEBI:67441
Definition A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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)15-9-17-23(33-10-32-17)25(31-7)19(15)18-14(20(11)27)8-16(28-4)22(29-5)24(18)30-6/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21+/m0/s1
InChIKey VMDLXEJHKASDPJ-YGGHMXSPSA-N
SMILES COc1cc2[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](OC(C)=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 D (CHEBI:67441) has role metabolite (CHEBI:25212)
ananolignan D (CHEBI:67441) has role plant metabolite (CHEBI:76924)
ananolignan D (CHEBI:67441) is a acetate ester (CHEBI:47622)
ananolignan D (CHEBI:67441) is a aromatic ether (CHEBI:35618)
ananolignan D (CHEBI:67441) is a lignan (CHEBI:25036)
ananolignan D (CHEBI:67441) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan D (CHEBI:67441) is a oxacycle (CHEBI:38104)
ananolignan D (CHEBI:67441) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5S,6S,7R,8R)-5-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-8-yl acetate
Registry Number Type Source
21534259 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013