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

CAS: 471-05-6 Cat. No.: Z424107 Summenformel: C₁₅H₂₂O Molekulargewicht: 218.33 EG-Nummer: 687-304-2 PubChem CID: 5470187

QUALITÄT & REINHEIT 10mM in DMSO

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 | Zerumbone, >=98% (H

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

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)

Spezifikationen

Synonyme

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 | Zerumbone, >=98% (H

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528768586

Kanonisches Lächeln

CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C

IUPAC Name

(2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

InChIKey

GIHNTRQPEMKFKO-SKTNYSRSSA-N

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+

Isomere SMILES

C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C

PubChem CID

5470187

Molekulargewicht

218.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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GLI2 Tchem Zinc finger protein GLI2 (13 Activities)

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P338 (231 Activities)

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BCHE Cholinesterase (8742 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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