CHEBI:66034 - 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one

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ChEBI Name 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
ChEBI ID CHEBI:66034
ChEBI ASCII Name 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
Definition An enone that is 4E-heptene-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
Download Molfile XML SDF
Formula C20H22O3
Net Charge 0
Average Mass 310.38690
Monoisotopic Mass 310.15689
InChI InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKey NOHMOWQGVDSLNY-UXBLZVDNSA-N
SMILES COc1cc(CC\C=C\C(=O)CCc2ccccc2)ccc1O
Metabolite of Species Details
Alpinia officinarum (NCBI:txid199623) Found in rhizome (BTO:0001181). See: PubMed
Alpinia officinarum (NCBI:txid199623) Found in root (BTO:0001188). See: PubMed
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) has role antineoplastic agent (CHEBI:35610)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) has role plant metabolite (CHEBI:76924)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) is a enone (CHEBI:51689)
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one (CHEBI:66034) is a guaiacols (CHEBI:134251)
IUPAC Name
(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
Registry Numbers Types Sources
5445787 Reaxys Registry Number Reaxys
79559-60-7 CAS Registry Number ChemIDplus
Citation Type Source
18484537 PubMed citation Europe PMC
Last Modified
07 April 2017