Products for Research Use Only

1-Dehydro-[10]-gingerdione

CAT: 0013-GTR19212948-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212948-01Size:25 mg
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Description
1-Dehydro-[10]-gingerdione is a selective IKKβ inhibitor that blocks IκBα phosphorylation and NF-κB activation in stimulated macrophages. This mechanism supports its research utility in studying NF-κB-driven inflammatory and autoimmune pathways in both cellular and animal models.
CAS Number
136826-50-1
Field of Research
Signal Transduction
Smiles
C (=CC (CC (CCCCCCCCC) =O) =O) C1=CC (OC) =C (O) C=C1
Molecular Formula
C21H30O4
Molecular Weight
346.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(10)-Dehydrogingerdione

1-(4-Hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione has been reported in Zingiber officinale with data available.

CAS Number136826-50-1
PubChem CID14999388
IUPAC Name(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione
Molecular FormulaC21H30O4
Molecular Weight346.5
XLogP5.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity416
SMILES
CCCCCCCCCC(=O)CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+
InChIKey
QJDGTTCAEQPSJA-ACCUITESSA-N
Chemical Structure
2D Structure
2D structure of (10)-Dehydrogingerdione
CAS: 136826-50-1
CID: 14999388
Formula: C21H30O4
MW: 346.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass346.21440943
Monoisotopic Mass346.21440943
Topological Polar Surface Area63.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes