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CHEBI:6461 - lilaline

ChEBI IDCHEBI:6461
ChEBI Namelilaline
Stars
DefinitionA tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4' and a 4-methyl-5-oxopyrrolidin-2-yl group at position 8.
Last Modified16 March 2015
DownloadsMolfile
FormulaC20H17NO7
Net Charge0
Average Mass383.356
Monoisotopic Mass383.10050
SMILES[H]C1(C)CC([H])(c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)NC1=O
InChIInChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)
InChIKeyYDCRQLJCXBNURP-UHFFFAOYSA-N
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)
lilaline (CHEBI:6461) has role plant metabolite (CHEBI:76924)
lilaline (CHEBI:6461) is a 7-hydroxyflavonol (CHEBI:52267)
lilaline (CHEBI:6461) is a pyrrolidin-2-ones (CHEBI:74223)
lilaline (CHEBI:6461) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]pyrrolidin-2-one
Manual XrefsDatabases
C10602KEGG COMPOUND
C00002347KNApSAcK
Registry NumbersSources
Reaxys:6541427Reaxys
CAS:110011-49-9KEGG COMPOUND