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CHEBI:132651 - kadsurenin C

ChEBI IDCHEBI:132651
ChEBI Namekadsurenin C
Stars
DefinitionA neolignan with formula C21H26O5, originally isolated from Piper kadsura.
Last Modified15 December 2016
Submitterliuqingping
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILES[H][C@]12C(=O)C(CC=C)=C[C@](OC)([C@H](C)[C@H]1c1ccc(OC)c(OC)c1)[C@@H]2O
InChIInChI=1S/C21H26O5/c1-6-7-14-11-21(26-5)12(2)17(18(19(14)22)20(21)23)13-8-9-15(24-3)16(10-13)25-4/h6,8-12,17-18,20,23H,1,7H2,2-5H3/t12-,17+,18-,20-,21+/m1/s1
InChIKeyYYEUHNBQISBESB-OFUJBLJQSA-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 C (CHEBI:132651) has role plant metabolite (CHEBI:76924)
kadsurenin C (CHEBI:132651) has role platelet-activating factor receptor antagonist (CHEBI:134182)
kadsurenin C (CHEBI:132651) is a bridged compound (CHEBI:35990)
kadsurenin C (CHEBI:132651) is a carbobicyclic compound (CHEBI:36785)
kadsurenin C (CHEBI:132651) is a cyclic ketone (CHEBI:3992)
kadsurenin C (CHEBI:132651) is a dimethoxybenzene (CHEBI:51681)
kadsurenin C (CHEBI:132651) is a enone (CHEBI:51689)
kadsurenin C (CHEBI:132651) is a neolignan (CHEBI:25497)
kadsurenin C (CHEBI:132651) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,5S,6R,7R,8R)-7-(3,4-dimethoxyphenyl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
Registry NumbersSources
Reaxys:9656986Reaxys
Citations