Yakuchinone A
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Yakuchinone A
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CAS No:
78954-23-1
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Formula:
C20H24O3
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Chemical Name:
Yakuchinone A
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Synonyms:
3-Heptanone,1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-;1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone;Yakuchinone A
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CAS No:
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.
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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