CHEBI:6461 - lilaline

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ChEBI Name lilaline
ChEBI ID CHEBI:6461
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H17NO7
Net Charge 0
Average Mass 383.35150
Monoisotopic Mass 383.10050
InChI InChI=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)
InChIKey YDCRQLJCXBNURP-UHFFFAOYSA-N
SMILES CC1CC(NC1=O)c1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Xrefs Databases
C00002347 KNApSAcK
C10602 KEGG COMPOUND
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Registry Numbers Types Sources
110011-49-9 CAS Registry Number KEGG COMPOUND
6541427 Reaxys Registry Number Reaxys
Last Modified
16 March 2015