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CHEBI:66034 - 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one

ChEBI IDCHEBI:66034
ChEBI Name7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
Stars
ASCII Name7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
DefinitionAn enone that is 4E-heptene-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic activity.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H22O3
Net Charge0
Average Mass310.393
Monoisotopic Mass310.15689
SMILESCOc1cc(CC/C=C/C(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKeyNOHMOWQGVDSLNY-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Alpinia officinarum (ncbitaxon:199623)
rhizome (BTO:0001181) PubMed (18484537)
root (BTO:0001188) PubMed (18484537)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) has role antineoplastic agent (CHEBI:35610)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) has role plant metabolite (CHEBI:76924)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) is a enone (CHEBI:51689)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) is a guaiacols (CHEBI:134251)
IUPAC Name 
(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
Registry NumbersSources
Reaxys:5445787Reaxys
CAS:79559-60-7ChemIDplus
Citations