kadsurenin K (CHEBI:132652)

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ChEBI Name	kadsurenin K

ChEBI ID	CHEBI:132652

Definition	A neolignan with formula C₂₀H₂₂O₅, originally isolated from Piper kadsura.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O5

Net Charge

Average Mass

342.386

Monoisotopic Mass

342.14672

InChI

InChI=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

InChIKey

QPJPDAWUDLZIDJ-MGMUYRNOSA-N

SMILES

O([C@@]12[C@@H]([C@H]([C@@](C1=O)(C(=O)C(=C2)CC=C)[H])C3=CC(OC)=C(O)C=C3)C)C

Metabolite of Species	Details
Piper kadsura (NCBI:txid54803)	See: PubMed

Roles Classification
Biological Role(s):	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	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'-neolignan	ChemIDplus

Registry Number	Type	Source
149560-83-8	CAS Registry Number	ChemIDplus

Citation	Type	Source
8368081	PubMed citation	Europe PMC

Last Modified

12 April 2017