Zerumbone - ≥98% , CAS No.471-05-6

CAS: 471-05-6 Cat. No.: Z275052 Fórmula: C₁₅H₂₂O Peso molecular: 218.33 Número CE: 687-304-2 PubChem CID: 5470187

GRAU & PUREZA ≥98%

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 2-8°C,Protected from light

Shipped In

Wet ice

Visão geral

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)

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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.

Fonte

Zingiber officinale

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508811149

Sorrisos canónicos

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+

SMILES isoméricas

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

PubChem CID

5470187

Peso molecular

218.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

GLI2 Tchem Zinc finger protein GLI2 (1 Activities)

Discover Target: GLI2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

Discover Target: PTK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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DU-145 (51482 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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SW480 (6023 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLI1 Tchem Zinc finger protein GLI1 (201 Activities)

Discover Target: GLI1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLI2 Tchem Zinc finger protein GLI2 (13 Activities)

Discover Target: GLI2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

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Enterococcus faecalis (29875 Activities)

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P338 (231 Activities)

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RAW264.7 (28094 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 25 mM
• Sensibilidade: light sensitive
• Peso molecular: 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