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CHEBI:132652 - kadsurenin K

ChEBI IDCHEBI:132652
ChEBI Namekadsurenin K
Stars
DefinitionA neolignan with formula C20H22O5, originally isolated from Piper kadsura.
Last Modified12 April 2017
Submitterliuqingping
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILES[H][C@@]12C(=O)C(CC=C)=C[C@@](OC)(C1=O)[C@H](C)[C@H]2c1ccc(O)c(OC)c1
InChIInChI=1S/C20H22O5/c1-5-6-13-10-20(25-4)11(2)16(17(18(13)22)19(20)23)12-7-8-14(21)15(9-12)24-3/h5,7-11,16-17,21H,1,6H2,2-4H3/t11-,16+,17-,20+/m1/s1
InChIKeyQPJPDAWUDLZIDJ-MGMUYRNOSA-N
Species of MetaboliteComponentSourceComments
Piper kadsura (ncbitaxon:54803) - PubMed (8368081)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
platelet-activating factor receptor antagonist  An antagonist that acts at the platelet-activating factor receptor.
ChEBI Ontology
Outgoing Relation(s)
kadsurenin K (CHEBI:132652) has role plant metabolite (CHEBI:76924)
kadsurenin K (CHEBI:132652) has role platelet-activating factor receptor antagonist (CHEBI:134182)
kadsurenin K (CHEBI:132652) is a bridged compound (CHEBI:35990)
kadsurenin K (CHEBI:132652) is a carbobicyclic compound (CHEBI:36785)
kadsurenin K (CHEBI:132652) is a cyclic ketone (CHEBI:3992)
kadsurenin K (CHEBI:132652) is a enone (CHEBI:51689)
kadsurenin K (CHEBI:132652) is a guaiacols (CHEBI:134251)
kadsurenin K (CHEBI:132652) is a neolignan (CHEBI:25497)
IUPAC Name 
(1R,5R,6R,7R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
Synonym  Source
delta(8')-3,5'-Dimethoxy-4-hydroxy-2',3',4',5'-tetrahydro-2',4'-dioxo-7.3',8.5'-neolignanChemIDplus
Registry NumbersSources
CAS:149560-83-8ChemIDplus
Citations