(+)-δ-Cadinene - Moligand™,≥95% , CAS No.483-76-1

CAS: 483-76-1 Cat. No.: S589238 Fórmula: C₁₅H₂₄ Peso molecular: 204.36 Número CE: 866-559-5

GRADE & PURITY Moligand™, ≥95%

Synonyms

(1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene | (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene | C06394 | 7848KI47OS | Cadina-1(10),4-diene | (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Visão geral

Refractive index: 1.51

Specifications

Sinónimos

(1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene | (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene | C06394 | 7848KI47OS | Cadina-1(10),4-diene | (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Especificações e pureza

Moligand™,≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Enviado em

Wet ice

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

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528768903
• Sorrisos canónicos: CC1=CC2C(CCC(=C2CC1)C)C(C)C
• IUPAC Name: (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
• InChIKey: FUCYIEXQVQJBKY-ZFWWWQNUSA-N
• INCHI: 1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
• SMILES isoméricas: CC1=C[C@H]2[C@@H](CCC(=C2CC1)C)C(C)C
• Peso molecular: 204.36

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: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sesquiterpenoid - Cadinane sesquiterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Cadinane sesquiterpenoids

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 (não humanos)

Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bacillus cereus (7522 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light & heat sensitive
• Ponto de inflamação (°C): 111 °C
• Ponto de ebulição (°C): 98 °C/1 mmHg
• Peso molecular: 204.350 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Yan Yang, Siying Liu, Yan Wang, Qin Yang, Baoan Wang, Yuting Zhang, Zaikang Tong, Junhong Zhang.  (2025)  Antifungal mechanisms of Phoebe bournei wood essential oil against Botryosphaeria dothidea and its application in apples.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113703]

2. Tianyu He, Rong Tian, Zhichao Song, Lei Liu, Xixi Zhu, Yanan Li, Wenjun Liu, Shaoping Yin, Jie Dong, Fei Xu, Jun Chen.  (2025)  Sesquiterpenes from galangal essential oil as potent penetration enhancer: Effect on stratum corneum components and cutaneous TRPV4 ion channel.  JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:41419158] [10.1016/j.xphs.2025.104134]

3. Yan Zhao, Chen-Yang Shao, Han Yan, Yue Zhang, Qun-Hua Peng, Zhi Lin, Xiao-Ting Zhai, Hai-Peng Lv, Yin Zhu.  (2026)  Unraveling the aromatic essence of baked green tea using sensomics: insights from three representative cultivars.  FOOD CHEMISTRY,      [PMID:41544474] [10.1016/j.foodchem.2026.147878]

4. Qingfu Wang, Jiaming Zhao, Zening Wang, Liuke Zhang, Lei Li, Yibo Ning, Zhipeng Jing, Pengfei Yang, Yongzhen Zhao, Changtong Lu.  (2026)  Study on the enhancement of volatile components extraction from Lysimachia foenum-graecum Hance essential oil by metal salts.  Frontiers in Chemistry,      [PMID:42482699] [10.3389/fchem.2026.1869613]