EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66558 - 8-lavandulylkaempferol

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:
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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