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CHEBI:81094 - kuraridinol

ChEBI IDCHEBI:81094
ChEBI Namekuraridinol
Stars
DefinitionA member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2, 4, 2' and 4', a methoxy group at position 6' and a 5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 3 respectively.
Last Modified12 June 2015
DownloadsMolfile
FormulaC26H32O7
Net Charge0
Average Mass456.535
Monoisotopic Mass456.21480
SMILESC=C(C)C(CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O
InChIInChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+
InChIKeyYXLKVASXUULQJH-VQHVLOKHSA-N
Species of MetaboliteComponentSourceComments
Sophora flavescens (ncbitaxon:49840) - PubMed (18175961)
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)
kuraridinol (CHEBI:81094) has functional parent trans-chalcone (CHEBI:48965)
kuraridinol (CHEBI:81094) has role plant metabolite (CHEBI:76924)
kuraridinol (CHEBI:81094) is a chalcones (CHEBI:23086)
kuraridinol (CHEBI:81094) is a monomethoxybenzene (CHEBI:25235)
kuraridinol (CHEBI:81094) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2E)-1-{2,4-dihydroxy-3-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
C17445KEGG COMPOUND
LMPK12120283LIPID MAPS
C00007149KNApSAcK
Registry NumbersSources
Reaxys:2492527Reaxys
Citations