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CHEBI:8182 - phyllospadine

ChEBI IDCHEBI:8182
ChEBI Namephyllospadine
Stars
DefinitionA trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 6 and a 1-methylpyrrolidin-2-yl group at position 8.
Last Modified5 June 2015
DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILESCOc1c(O)c(C2CCCN2C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C21H21NO6/c1-22-9-3-4-13(22)16-18(25)21(27-2)19(26)17-14(24)10-15(28-20(16)17)11-5-7-12(23)8-6-11/h5-8,10,13,23,25-26H,3-4,9H2,1-2H3
InChIKeyMHPSUMPGWBYSSV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllospadix iwatensis (ncbitaxon:214525) - Article (Agricultural and Biological Chemistry Volume 44, Issue 12, 1980 )
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
phyllospadine (CHEBI:8182) has role plant metabolite (CHEBI:76924)
phyllospadine (CHEBI:8182) is a alkaloid (CHEBI:22315)
phyllospadine (CHEBI:8182) is a monomethoxyflavone (CHEBI:25401)
phyllospadine (CHEBI:8182) is a pyrrolidines (CHEBI:38260)
phyllospadine (CHEBI:8182) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-4H-1-benzopyran-4-one
Manual XrefsDatabases
C10609KEGG COMPOUND
C00002354KNApSAcK
LMPK12111158LIPID MAPS
Registry NumbersSources
Reaxys:7103780Reaxys
CAS:76540-48-2KEGG COMPOUND
Citations