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CHEBI:65431 - ardisiphenol B

ChEBI IDCHEBI:65431
ChEBI Nameardisiphenol B
Stars
DefinitionAn acetate ester obtained from the formal condensation of acetic acid with the hydroxy group at position 1 of 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol. Isolated from the dried fruits of Ardisia colorata, it exhibits scavenging activity towards DPPH radicals and cytotoxicity against murine breast cancer cell line, FM3A.
Last Modified12 November 2012
DownloadsMolfile
FormulaC23H36O4
Net Charge0
Average Mass376.537
Monoisotopic Mass376.26136
SMILESCCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1OC(C)=O
InChIInChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(25)18-22(26)23(20)27-19(2)24/h8-9,17-18,25-26H,3-7,10-16H2,1-2H3/b9-8-
InChIKeyQIOIOJNMBXOYMA-HJWRWDBZSA-N
Species of MetaboliteComponentSourceComments
Ardisia colorata (ncbitaxon:1009002) fruit (BTO:0000486) PubMed (11767097) Dried fruit
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ardisiphenol B (CHEBI:65431) has functional parent 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol (CHEBI:70999)
ardisiphenol B (CHEBI:65431) has role antineoplastic agent (CHEBI:35610)
ardisiphenol B (CHEBI:65431) has role metabolite (CHEBI:25212)
ardisiphenol B (CHEBI:65431) has role radical scavenger (CHEBI:48578)
ardisiphenol B (CHEBI:65431) is a acetate ester (CHEBI:47622)
ardisiphenol B (CHEBI:65431) is a resorcinols (CHEBI:33572)
IUPAC Name 
2,4-dihydroxy-6-[(8Z)-pentadec-8-en-1-yl]phenyl acetate
Synonym  Source
6-(8'Z-pentadecenyl)-1,2,4-trihydroxybenzene-1-O-acetateChEBI
Registry NumbersSources
Reaxys:9091374Reaxys
Citations