7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032)

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ChEBI Name	7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone

ChEBI ID	CHEBI:66032

Definition	A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.

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

Supplier Information

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Formula

C21H26O4

Net Charge

Average Mass

342.42870

Monoisotopic Mass

342.18311

InChI

InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3/t19-/m1/s1

InChIKey

XYIISUAVSYEQLI-LJQANCHMSA-N

SMILES

CO[C@H](CCc1ccc(O)c(OC)c1)CC(=O)CCc1ccccc1

Metabolite of Species	Details
Alpinia officinarum (NCBI:txid199623)	Found in rhizome (BTO:0001181). See: PubMed
Alpinia officinarum (NCBI:txid199623)	Found in root (BTO:0001188). See: PubMed

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. prostaglandin antagonist A compound that inhibits the action of prostaglandins.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. prostaglandin antagonist A compound that inhibits the action of prostaglandins.

ChEBI Ontology
Outgoing	7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032) has role antineoplastic agent (CHEBI:35610) 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032) has role plant metabolite (CHEBI:76924) 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032) has role prostaglandin antagonist (CHEBI:49023) 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032) is a guaiacols (CHEBI:134251) 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone (CHEBI:66032) is a ketone (CHEBI:17087)

IUPAC Name

(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one

Registry Number	Type	Source
18567996	Reaxys Registry Number	Reaxys

Last Modified

07 April 2017