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Yakuchinone A

Yakuchinone A structure

Yakuchinone A 

structure
  • CAS No:

    78954-23-1

  • Formula:

    C20H24O3

  • Chemical Name:

    Yakuchinone A

  • Synonyms:

    3-Heptanone,1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-;1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone;Yakuchinone A

Description

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, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone.

Yakuchinone A Basic Attributes

312.4 g/mol

312.40

2X58Y9JC7L

DTXSID50229406

Characteristics

46.5 Ų

212-214 °C @ Press: 2 Torr

Drug Information

1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone

Computed Properties

Molecular Weight:312.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:312.17254462
Monoisotopic Mass:312.17254462
Topological Polar Surface Area:46.5
Heavy Atom Count:23
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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