2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 164886
• 分子式: C44H66O4
• 平均质量: 658.99244
• 单一同位素质量: 658.49611059
• 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(/CCC=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(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)C
• InChI: InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+
• InChIKey: DBESHHFMIFSNRV-RJYQSXAYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: ubiquinone 7
• 别名: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; CoQ7; UQ7; (all-E)-2-(3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; Ubiquinone 35; Ubiquinone 7; Ubiquinone Q7; (all-E)-2-(3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; trans-Coenzyme Q7; Coenzyme Q7

登记号

• CAS号: 303-95-7
• PubChem SID: 162259020
• PubChem CID: 5289540

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 12.176986
• LogD (pH = 7.4): 12.176986
• Log P: 12.176986
• 摩尔折射率: 215.1974 cm^3
• 极化性: 80.49684 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 22
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - C636480

An isoprenoid quinone that siginificantly reduced blood sugar and ketone bodies of diabetics. It has been shown to decrease high blood citrate level in humans with periodontal disease. It is a viable therapeutic agent for muscular dystrophy.

参考文献

• Shigeta, Y. et al.: J. Vitaminol., 12, 293 (1966)
• Imai, H.: Shika Igaku, 35, 530 (1966)
• Folkers, K. et al.: Int. J. Vitam. Nutrit. Res., 42, 139 (1966)