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CHEBI:70698 - (E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one

Default Structure
ChEBI IDCHEBI:70698
ChEBI Name(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one
Stars
ASCII Name(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one
DefinitionA diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Last Modified26 March 2015
DownloadsMolfile
FormulaC19H20O3
Net Charge0
Average Mass296.366
Monoisotopic Mass296.14124
SMILESO=C(CC/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,21-22H,2,4,7,10H2/b3-1+
InChIKeyPDFRZPRYDQDKCQ-HNQUOIGGSA-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)
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one (CHEBI:70698) has role plant metabolite (CHEBI:76924)
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one (CHEBI:70698) is a diarylheptanoid (CHEBI:78802)
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one (CHEBI:70698) is a ketone (CHEBI:17087)
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one (CHEBI:70698) is a phenols (CHEBI:33853)
IUPAC Name 
(6E)-1,7-bis(4-hydroxyphenyl)hept-6-en-3-one
Registry NumbersSources
Reaxys:21038410Reaxys