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CHEBI:70699 - 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one

ChEBI IDCHEBI:70699
ChEBI Name1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
Stars
ASCII Name1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
DefinitionA diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Last Modified26 March 2015
DownloadsMolfile
FormulaC19H20O2
Net Charge0
Average Mass280.367
Monoisotopic Mass280.14633
SMILESO=C(CC/C=C/c1ccccc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H20O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,21H,5,9-10,13H2/b8-4+
InChIKeyHLXPZGZUVCDNGK-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Curcuma kwangsiensis (ncbitaxon:136216) rhizome (BTO:0001181) DOI (10.1021/np100392m) 70% ethanolic extract of rhizomes
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one (CHEBI:70699) has role plant metabolite (CHEBI:76924)
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one (CHEBI:70699) is a diarylheptanoid (CHEBI:78802)
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one (CHEBI:70699) is a ketone (CHEBI:17087)
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one (CHEBI:70699) is a phenols (CHEBI:33853)
IUPAC Name 
(6E)-1-(4-hydroxyphenyl)-7-phenylhept-6-en-3-one
Registry NumbersSources
Reaxys:18603436Reaxys