2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 164887
• 分子式: C49H74O4
• 平均质量: 727.10946
• 单一同位素质量: 726.55871085
• SMILES: C1(=C(C(=O)C(=C(C1=O)OC)OC)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C
• Canonical SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)C
• InChI: InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
• InChIKey: ICFIZJQGJAJRSU-SGHXUWJISA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: ubiquinone 8
• 别名: 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl]-2,5-cyclohexadiene-1,4-dione; 2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-p-benzoquinone; Ubiquinone 40; Ubiquinone 8; Ubiquinone Q8; (all-E)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-2,5-cyclohexadiene-1,4-dione; CoQ8; Coenzyme Q8

登记号

• CAS号: 2394-68-5
• PubChem SID: 162259021
• PubChem CID: 5283546

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 13.8366995
• LogD (pH = 7.4): 13.8366995
• Log P: 13.8366995
• 摩尔折射率: 239.0 cm^3
• 极化性: 89.495384 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - C636490

An isoprenoid quinone that enhances nonspecific resistance to bacterial infections. It stimulates phagocytosis in macrophages by modulation of the kinetics of the Fc receptor. It serves as an electron carrier from the flavoprotein to the cytochrome comple

参考文献

• Block, L.H., et al.: J. J. Exp. Med. 149, 1228 (1978)
• Carter, K. et al.: J. Biol. Chem., 260, 10986 (1978)
• Block, L.H. et al.: J. Infect. Dis., 153, 209 (1978)