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CHEBI:65898 - flavaspidic acid PB

Default Structure
ChEBI IDCHEBI:65898
ChEBI Nameflavaspidic acid PB
Stars
DefinitionA polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.
Last Modified7 November 2013
DownloadsMolfile
FormulaC23H28O8
Net Charge0
Average Mass432.469
Monoisotopic Mass432.17842
SMILESCCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O
InChIInChI=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
InChIKeyNGODKUCEKYYIFN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dryopteris crassirhizoma (ncbitaxon:97234) rhizome (BTO:0001181) PubMed (12951487)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 aromatic ketone (CHEBI:76224)
flavaspidic acid PB (CHEBI:65898) is a polyphenol (CHEBI:26195)
flavaspidic acid PB (CHEBI:65898) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-6-propionylcyclohexa-2,5-dien-1-one
Manual XrefsDatabases
23275363ChemSpider
Registry NumbersSources
Reaxys:2684769Reaxys
Citations