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

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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 ZINC000064512333
Download Molfile XML SDF
Formula C20H24O4
Net Charge 0
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 )
View more via ChEBI Ontology
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