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Yakuchinone A

CAT: 0013-GTR19174867-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174867-05Size:25 mg
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Description
Yakuchinone A, a natural compound from Alpinia oxyphylla, potently suppresses prostaglandin and leukotriene synthesis in vitro by inhibiting COX-2 and iNOS expression. This activity supports its research use in studying inflammation, pain, and related pathways in cellular and animal models.
CAS Number
78954-23-1
Product Name Alternative
Yakuchinone A, Yakuchinone-A
Field of Research
Cell Biology
Purity
98.15% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.4 mM) ; DMSO:22.5 mg/mL (72.02 mM)
Smiles
C (CC (CCCCC1=CC=CC=C1) =O) C2=CC (OC) =C (O) C=C2
Molecular Formula
C20H24O3
Molecular Weight
312.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Yakuchinone A

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.

CAS Number78954-23-1
PubChem CID133145
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
Molecular FormulaC20H24O3
Molecular Weight312.4
XLogP3.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity336
SMILES
COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
InChIKey
TXELARZTKDBEKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Yakuchinone A
CAS: 78954-23-1
CID: 133145
Formula: C20H24O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass312.17254462
Monoisotopic Mass312.17254462
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2064Yakuchinone A
TBZ2065Yakuchinone B
HY-123386RYakuchinone A (Standard)

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