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Zerumbone

CAT: 0931-T5712-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5712-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
471-05-6
Target
HSV, Antifection, Apoptosis, Antioxidant, Caspase, Antibacterial
Related Pathways
Oxidation-Reduction, Microbiology/Virology, Apoptosis, Proteases/Proteasome
Purity
0.9989
Bioactivity
Zerumbone is a natural monocyclic sesquiterpene first isolated from rhizomes of the wild ginger Z. zerumbet.It has also been shown to have anti-oxidant and anti-inflammatory activities, contributing to immunomodulatory and hepatoprotective effects.
Smiles
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
Molecular Formula
C15H22O
Molecular Weight
218.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zerumbone

Zerumbone is a sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia. It has a role as a glioma-associated oncogene inhibitor, an anti-inflammatory agent and a plant metabolite. It is a sesquiterpenoid and a cyclic ketone. It derives from a hydride of an alpha-humulene.

CAS Number471-05-6
PubChem CID5470187
IUPAC Name(2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
Molecular FormulaC15H22O
Molecular Weight218.33
XLogP3.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity354
SMILES
C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C
InChI
InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+
InChIKey
GIHNTRQPEMKFKO-SKTNYSRSSA-N
Chemical Structure
2D Structure
2D structure of Zerumbone
CAS: 471-05-6
CID: 5470187
Formula: C15H22O
MW: 218.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.33
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.167065321
Monoisotopic Mass218.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
469181-01Zerumbone

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