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CHEBI:6146 - kuwanone G

ChEBI IDCHEBI:6146
ChEBI Namekuwanone G
Stars
DefinitionA tetrahydroxyflavone isolated from the root barks of Morus alba and has been shown to exhibit anti-inflammatory activity.
Last Modified16 March 2015
DownloadsMolfile
FormulaC40H36O11
Net Charge0
Average Mass692.717
Monoisotopic Mass692.22576
SMILESCC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O
InChIInChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1
InChIKeyAPPXYONGBIXGRO-AIQWNVMPSA-N
Species of MetaboliteComponentSourceComments
Morus alba (ncbitaxon:3498) root (BTO:0001188) PubMed (23806866)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
kuwanone G (CHEBI:6146) has role anti-inflammatory agent (CHEBI:67079)
kuwanone G (CHEBI:6146) has role plant metabolite (CHEBI:76924)
kuwanone G (CHEBI:6146) is a resorcinols (CHEBI:33572)
kuwanone G (CHEBI:6146) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
8-[(1R,2S,3S)-2-(2,4-dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl[1,2,3,6-tetrahydro[1,1'-biphenyl]]-3-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
Synonym  Source
Kuwanone GKEGG COMPOUND
Manual XrefsDatabases
C10099KEGG COMPOUND
C00001063KNApSAcK
Registry NumbersSources
CAS:75629-19-5KEGG COMPOUND
Citations