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CHEBI:66558 - 8-lavandulylkaempferol

Default Structure
ChEBI IDCHEBI:66558
ChEBI Name8-lavandulylkaempferol
Stars
DefinitionA tetrahydroxyflavone that is kaempferol substituted by a lavandulyl group at position 8. Isolated from Sophora flavescens, it exhibits antioxidant activity.
Last Modified25 November 2013
DownloadsMolfile
FormulaC25H26O6
Net Charge0
Average Mass422.477
Monoisotopic Mass422.17294
SMILESC=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C25H26O6/c1-13(2)5-6-16(14(3)4)11-18-19(27)12-20(28)21-22(29)23(30)24(31-25(18)21)15-7-9-17(26)10-8-15/h5,7-10,12,16,26-28,30H,3,6,11H2,1-2,4H3
InChIKeyRLJJIYPLHFCLRD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sophora flavescens (ncbitaxon:49840) root (BTO:0001188) PubMed (16392664)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 1.1.1.21 (aldehyde reductase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).
ChEBI Ontology
Outgoing Relation(s)
8-lavandulylkaempferol (CHEBI:66558) has functional parent kaempferol (CHEBI:28499)
8-lavandulylkaempferol (CHEBI:66558) has role EC 1.1.1.21 (aldehyde reductase) inhibitor (CHEBI:48550)
8-lavandulylkaempferol (CHEBI:66558) has role metabolite (CHEBI:25212)
8-lavandulylkaempferol (CHEBI:66558) has role radical scavenger (CHEBI:48578)
8-lavandulylkaempferol (CHEBI:66558) is a flavonols (CHEBI:28802)
8-lavandulylkaempferol (CHEBI:66558) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4H-chromen-4-one
Registry NumbersSources
Reaxys:15869811Reaxys
Citations