flavaspidic acid PB (CHEBI:65898)

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ChEBI Name	flavaspidic acid PB

ChEBI ID	CHEBI:65898

Definition	A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.

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

Supplier Information

Download	Molfile XML SDF

Formula

C23H28O8

Net Charge

Average Mass

432.46360

Monoisotopic Mass

432.17842

InChI

InChI=1S/C23H28O8/c1-6-8-14(25)15-18(27)10(3)17(26)11(19(15)28)9-12-20(29)16(13(24)7-2)22(31)23(4,5)21(12)30/h26-28,30-31H,6-9H2,1-5H3

InChIKey

NGODKUCEKYYIFN-UHFFFAOYSA-N

SMILES

CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O

Metabolite of Species	Details
Dryopteris crassirhizoma (NCBI:txid97234)	Found in rhizome (BTO:0001181). See: PubMed

Roles Classification
Chemical Role(s):	radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals.

Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	flavaspidic acid PB (CHEBI:65898) has functional parent phloroglucinol (CHEBI:16204) flavaspidic acid PB (CHEBI:65898) has role antibacterial agent (CHEBI:33282) flavaspidic acid PB (CHEBI:65898) has role metabolite (CHEBI:25212) flavaspidic acid PB (CHEBI:65898) has role radical scavenger (CHEBI:48578) flavaspidic acid PB (CHEBI:65898) is a β-hydroxy ketone (CHEBI:55380) flavaspidic acid PB (CHEBI:65898) is a aromatic ketone (CHEBI:76224) flavaspidic acid PB (CHEBI:65898) is a polyphenol (CHEBI:26195)

IUPAC Name

2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-6-propionylcyclohexa-2,5-dien-1-one

Registry Number	Type	Source
2684769	Reaxys Registry Number	Reaxys

Last Modified

07 November 2013