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

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ChEBI Name	1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone

ChEBI ID	CHEBI:70701

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O4

Net Charge

Average Mass

328.40220

Monoisotopic Mass

328.16746

InChI

InChI=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

InChIKey

QUMBVGAYXWDALH-UHFFFAOYSA-N

SMILES

COc1cc(CCC(=O)CCCCc2ccc(O)cc2)ccc1O

Metabolite of Species	Details
Curcuma kwangsiensis (NCBI:txid136216)	Found in rhizome (BTO:0001181). 70% ethanolic extract of rhizomes See: DOI

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. (via diarylheptanoid )

ChEBI Ontology
Outgoing	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 Number	Type	Source
20090389	Reaxys Registry Number	Reaxys

Last Modified

07 April 2017