CHEBI:70703 - 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
ChEBI ID CHEBI:70703
ChEBI ASCII Name 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
Definition A diarylheptanoid that is (4E)-4-hepten-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. 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 C20H22O4
Net Charge 0
Average Mass 326.38630
Monoisotopic Mass 326.15181
InChI InChI=1S/C20H22O4/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/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+
InChIKey JYHZFCAVESZNKO-HWKANZROSA-N
SMILES COc1cc(CCC(=O)\C=C\CCc2ccc(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)-(4E)-4-hepten-3-one (CHEBI:70703) has role plant metabolite (CHEBI:76924)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one (CHEBI:70703) is a diarylheptanoid (CHEBI:78802)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one (CHEBI:70703) is a enone (CHEBI:51689)
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one (CHEBI:70703) is a guaiacols (CHEBI:134251)
IUPAC Name
(4E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
Registry Number Type Source
3562086 Reaxys Registry Number Reaxys
Last Modified
07 April 2017