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Zerumbone - 10mM in DMSO, high purity , CAS No.471-05-6

    Grade & Purity:
  • 10mM in DMSO
In stock
Item Number
Z424107
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Z424107-1ml
1ml
Available within 8-12 weeks(?)
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$69.90

Potent NF-κB inhibitor. Anticancer agent.

Basic Description

Synonyms C20262 | erumbone | BDBM50241296 | Zerumbone | MS-23207 | SCHEMBL12831266 | SRCZ-00151 | HB4130 | CCG-208558 | (E,E,E)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one | NSC698299 | NSC-698299 | HY-N7015 | 2E,6E,9E-humulatrien-8-one | CS-0003365 | Zerumb
Specifications & Purity 10mM in DMSO
Biochemical and Physiological Mechanisms Potent NF-κB inhibitor. Anticancer agent. Induces cytochrome c dependent caspase activation and mitochondrial permeabilisation in cancer cells. Induces apoptosis and shows anti-inflammatory and antitumor effects in vivo. Orally active.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Product Application:

Zerumbone has been used:

for liquid chromatography with mass spectrometry (LC-MS-MS)

to investigate its potential application in the prevention

treatment of esophageal squamous cell carcinomas (ESCC)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Sesquiterpenoids
Intermediate Tree Nodes Not available
Direct Parent Sesquiterpenoids
Alternative Parents Cyclic ketones  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic homomonocyclic compounds
Substituents Humulane sesquiterpenoid - Sesquiterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors cyclic ketone - sesquiterpenoid

Associated Targets(Human)

GLI2 Tchem Zinc finger protein GLI2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DU-145 (51482 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SW480 (6023 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLI1 Tchem Zinc finger protein GLI1 (201 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLI2 Tchem Zinc finger protein GLI2 (13 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P338 (231 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAW264.7 (28094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
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
Smiles CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C
Isomeric SMILES C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C
PubChem CID 5470187
Molecular Weight 218.33

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 218.330 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 218.167 Da
Monoisotopic Mass 218.167 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 354.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 3
Covalently-Bonded Unit Count 1

Solution Calculators

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