ChemicalBook--->CAS DataBase List--->36700-45-5

36700-45-5

36700-45-5 Structure

36700-45-5 Structure
IdentificationBack Directory
[Name]

8-SHOGAOL
[CAS]

36700-45-5
[Synonyms]

8-ShogaoI
8-SHOGAOL
1-(4-Hydroxy-3-methoxyphenyl)-4-dodecen-3-one
4-Dodecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C19H28O3
[MDL Number]

MFCD21333718
[MOL File]

36700-45-5.mol
[Molecular Weight]

304.424
Chemical PropertiesBack Directory
[Boiling point ]

452.3±35.0 °C(Predicted)
[density ]

1.013±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in chloroform and methanol;
[form ]

liquid
[pka]

10.01±0.20(Predicted)
[color ]

Colorless - yellowish viscous
[Water Solubility ]

insoluble in water
[InChI]

InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3
[InChIKey]

LGZSMXJRMTYABD-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(O)C(OC)=C1)CC(=O)C=CCCCCCCC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312+P330-P501
Hazard InformationBack Directory
[Chemical Properties]

Slightly soluble in methanol, soluble in petroleum ether, ethyl acetate, chloroform. Derived from the rhizome of ginger.
[Uses]

8-?Shogaol is a component of ginger (Zingiber officinale) and maintains anti-inflammatory activity as a cyclooxygenase-2 inhibitor.
[Definition]

ChEBI: [8]-Shogaol is a monomethoxybenzene, an enone and a member of phenols.
[in vivo]

[8]-Shogaol (10 mg/kg, 30 mg/kg; ip; once daily for 10 days) reduces paw thickness and improves walking performance in a rat model of adjuvant-induced arthritis (AIA)[4].

[target]

ROS
[IC 50]

COX-2: 17.5 μM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

8-SHOGAOL(36700-45-5)1HNMR
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