ardisiphenol B (CHEBI:65431)

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ChEBI Name	ardisiphenol B

ChEBI ID	CHEBI:65431

Definition	An 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C23H36O4

Net Charge

Average Mass

376.52950

Monoisotopic Mass

376.26136

InChI

InChI=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-

InChIKey

QIOIOJNMBXOYMA-HJWRWDBZSA-N

SMILES

CCCCCC\C=C/CCCCCCCc1cc(O)cc(O)c1OC(C)=O

Metabolite of Species	Details
Ardisia colorata (NCBI:txid1009002)	Found in fruit (BTO:0000486). Dried fruit 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):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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-acetate	ChEBI

Registry Number	Type	Source
9091374	Reaxys Registry Number	Reaxys

Last Modified

12 November 2012