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[4]-Gingerol

CAT: 0013-GTR19179688Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179688Size:5 mg
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Description
[4]-Gingerol (CAS 41743-68-4) is a bioactive phenolic compound from ginger, widely used in life science research. It is studied in vitro and in vivo for its potential antioxidant, anti-inflammatory, and anti-nausea properties, relevant to pharmacology and nutraceutical investigations.
CAS Number
41743-68-4
Smiles
CCC[C@@H] (CC (CCc (cc1) cc (OC) c1O) =O) O
Molecular Formula
C15H22O4
Molecular Weight
266.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4)-Gingerol
CAS Number41743-68-4
PubChem CID46901319
IUPAC Name(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP1.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity267
SMILES
CCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3/t12-/m0/s1
InChIKey
GDRKZARFCIYVCI-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (4)-Gingerol
CAS: 41743-68-4
CID: 46901319
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes