ChemicalBook--->CAS DataBase List--->36752-54-2

36752-54-2

36752-54-2 Structure

36752-54-2 Structure
IdentificationBack Directory
[Name]

10-Shogaol
[CAS]

36752-54-2
[Synonyms]

10-Shogaol
1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one
4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
[Molecular Formula]

C21H32O3
[MDL Number]

MFCD00916692
[MOL File]

36752-54-2.mol
[Molecular Weight]

332.48
Chemical PropertiesBack Directory
[Boiling point ]

476.8±35.0 °C(Predicted)
[density ]

0.996±0.06 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in chloroform and methanol;
[form ]

viscous liquid
[pka]

10.01±0.20(Predicted)
[color ]

Yellowish - brown
[Water Solubility ]

insoluble in water
[InChI]

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3
[InChIKey]

FADFGCOCHHNRHF-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(O)C(OC)=C1)CC(=O)C=CCCCCCCCCC
Safety DataBack Directory
[WGK Germany ]

WGK 2
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Colorless to slightly yellow liquid, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from ginger.
[Uses]

10-Shogaol is an extract from ginger (Zingiber officinale Roscoe)? displaying antioxidant activity. Also may contain hypolipidemic and insulin-sensitizing effects.
[Definition]

ChEBI: [10]-Shogaol is a monomethoxybenzene, a member of phenols and an enone.
[target]

TGF-β/Smad | PDGFR | VEGFR
[IC 50]

COX-2: 7.5 μM (IC50)
Spectrum DetailBack Directory
[Spectrum Detail]

10-Shogaol(36752-54-2)1HNMR
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