CHEBI:132653 - kadsurenin L

ChEBI IDCHEBI:132653
ChEBI Namekadsurenin L
Stars
DefinitionA neolignan with formula C23H28O6, originally isolated from Piper kadsura.
Last Modified15 December 2016
Submitterliuqingping
DownloadsMolfile
FormulaC23H28O6
Net Charge0
Average Mass400.471
Monoisotopic Mass400.18859
SMILES[H][C@]12C(=O)C(CC=C)=C[C@](OC)([C@H](C)[C@H]1c1ccc(OC)c(OC)c1)[C@H]2OC(C)=O
InChIInChI=1S/C23H28O6/c1-7-8-16-12-23(28-6)13(2)19(20(21(16)25)22(23)29-14(3)24)15-9-10-17(26-4)18(11-15)27-5/h7,9-13,19-20,22H,1,8H2,2-6H3/t13-,19+,20-,22+,23+/m1/s1
InChIKeyTVDQUJSTRADHSU-WWDCKHPPSA-N
Species of MetaboliteComponentSourceComments
Piper kadsura (ncbitaxon:54803) - PubMed (8368081)
Roles Classification
Biological Roles:
platelet-activating factor receptor antagonist  An antagonist that acts at the platelet-activating factor receptor.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
kadsurenin L (CHEBI:132653) has role plant metabolite (CHEBI:76924)
kadsurenin L (CHEBI:132653) has role platelet-activating factor receptor antagonist (CHEBI:134182)
kadsurenin L (CHEBI:132653) is a acetate ester (CHEBI:47622)
kadsurenin L (CHEBI:132653) is a bridged compound (CHEBI:35990)
kadsurenin L (CHEBI:132653) is a carbobicyclic compound (CHEBI:36785)
kadsurenin L (CHEBI:132653) is a cyclic ketone (CHEBI:3992)
kadsurenin L (CHEBI:132653) is a dimethoxybenzene (CHEBI:51681)
kadsurenin L (CHEBI:132653) is a enone (CHEBI:51689)
kadsurenin L (CHEBI:132653) is a neolignan (CHEBI:25497)
IUPAC Name 
(1R,5S,6R,7R,8S)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate
Synonym  Source
delta(8')-3,4,5'-Trimethoxy-4'-acetoxy-2',3',4',5'-tetrahydro-2'-oxo-7.3',8.5'-neolignanChemIDplus
Registry NumbersSources
Reaxys:20034355Reaxys
CAS:149438-61-9ChemIDplus
Citations