Products 78954-23-1

CAS 78954-23-1 appears in our catalog under these names: Yakuchinone A/ 98.62% (existing batch purity), Yakuchinone A, Yakuchinone A, >98.0%(HPLC), Yakuchinone A 97%, 1-(4-Hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one, 97%, 97%. Offered by: TargetMol, GLPBio, TCI, Ambeed, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg, 25 mg.

Structural formula: {0} (CAS {1})

1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, an antineoplastic agent, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a ketone, a monomethoxybenzene and a member of phenols.

Source: ChEBI

Identity
Molecular formulaC20H24O3
Molecular weight312.4 g/mol
IUPAC name1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
InChIKeyTXELARZTKDBEKS-UHFFFAOYSA-N
SMILESCOC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O

Computed by PubChem (NCBI)