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CHEBI:70701 - 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone

ChEBI IDCHEBI:70701
ChEBI Name1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
Stars
DefinitionA diarylheptanoid that is 3-heptanone substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCOc1cc(CCC(=O)CCCCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H24O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h6-7,9-11,13-14,22-23H,2-5,8,12H2,1H3
InChIKeyQUMBVGAYXWDALH-UHFFFAOYSA-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-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone (CHEBI:70701) has role plant metabolite (CHEBI:76924)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone (CHEBI:70701) is a diarylheptanoid (CHEBI:78802)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone (CHEBI:70701) is a guaiacols (CHEBI:134251)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone (CHEBI:70701) is a ketone (CHEBI:17087)
IUPAC Name 
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
Registry NumbersSources
Reaxys:20090389Reaxys