2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 164888
• 分子式: C24H34O4
• 平均质量: 386.52436
• 单一同位素质量: 386.24570957
• SMILES: C1(=C(C(=O)C(=C(C1=O)C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC)OC
• Canonical SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
• InChI: InChI=1S/C24H34O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+
• InChIKey: XREILSQAXUAAHP-NXGXIAAHSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: 2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
• 别名: Coenzyme Q9; (all-E)-2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; Bio-Quinone Q10; CoQ10; Cosmesome Q 10; Ensorb; Kaneka Q10; Kudesan; Li-Q-Sorb; Liquid-Q; NSC 140865; Neuquinon; Neuquinone; PureSorb Q 40; Q-Gel; Q-Gel 100; Ubidecarenone; Ubiquinone 10; Ubiquinone Q10; Unispheres Q 10; Vitamin Q; Coenzyme Q10; (all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione; CoQ9; NSC 226993; Ubiquinone 45; Ubiquinone 9; Ubiquinone Q9

登记号

• CAS号: 303-98-0; 303-97-9
• PubChem SID: 162259022
• PubChem CID: 6440937

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.5381284
• LogD (pH = 7.4): 5.5381284
• Log P: 5.5381284
• 摩尔折射率: 119.987 cm^3
• 极化性: 44.53173 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Yellow-Orange Solid
• 熔点: 41-43°C; 48-50°C

安全信息

• 保存条件: Amber Vial, -20°C Freezer; Amber Vial, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - C636500

Antibacterial and antioxidant for preventing and treating cancer.

Toronto Research Chemicals - C636501

Antibacterial and antioxidant for preventing and treating cancer.

参考文献

• Itoh, K., et al.: J. Immunol., 170, 3688 (2003)
• Liu, A., et al.: J. Biol. Chem., 279, 53196 (2003)
• Wullaert, A., et al.: Biochem. Pharmacol., 72, 1090 (2003)
• Trumpower, B.L., et al.: J. Bioenerget. Biomembr., 13,1 (1981)
• Inatsu, S., et al.: Antimicrob. Agents Chemother., 50, 2237 (1981)