phyllospadine (CHEBI:8182)

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ChEBI Name	phyllospadine

ChEBI ID	CHEBI:8182

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C21H21NO6

Net Charge

Average Mass

383.39450

Monoisotopic Mass

383.13689

InChI

InChI=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

InChIKey

MHPSUMPGWBYSSV-UHFFFAOYSA-N

SMILES

COc1c(O)c(C2CCCN2C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1

Metabolite of Species	Details
Phyllospadix iwatensis (NCBI:txid214525)	See: Agricultural and Biological Chemistry Volume 44, Issue 12, 1980

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

ChEBI Ontology
Outgoing	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

Citation	Type	Source
IND81023035	Agricola citation	Europe PMC

Last Modified

05 June 2015