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CHEBI:67496 - 3'-hydroxy-4,6,4'-trimethoxyaurone

ChEBI IDCHEBI:67496
ChEBI Name3'-hydroxy-4,6,4'-trimethoxyaurone
Stars
DefinitionA methoxyaurone that is aurone substituted by methoxy groups at positions 4, 6 and 4' and a hydroxy group at position 3' respectively. It has been isolated from the roots of Cyperus teneriffae.
Last Modified9 June 2015
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccc(OC)c(O)c1)C2=O
InChIInChI=1S/C18H16O6/c1-21-11-8-14(23-3)17-15(9-11)24-16(18(17)20)7-10-4-5-13(22-2)12(19)6-10/h4-9,19H,1-3H3/b16-7-
InChIKeyYUECETOWCFGWQI-APSNUPSMSA-N
Species of MetaboliteComponentSourceComments
Cyperus teneriffae (IPNI:306106-1) root (BTO:0001188) PubMed (21504148) Ethanolic extract of dried roots
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.
ChEBI Ontology
Outgoing Relation(s)
3'-hydroxy-4,6,4'-trimethoxyaurone (CHEBI:67496) has functional parent aurone (CHEBI:47964)
3'-hydroxy-4,6,4'-trimethoxyaurone (CHEBI:67496) has role plant metabolite (CHEBI:76924)
3'-hydroxy-4,6,4'-trimethoxyaurone (CHEBI:67496) is a hydroxyaurone (CHEBI:85970)
3'-hydroxy-4,6,4'-trimethoxyaurone (CHEBI:67496) is a methoxyaurone (CHEBI:85967)
IUPAC Name 
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3(2H)-one
Registry NumbersSources
Reaxys:43306Reaxys
Citations