5,6-dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohex-2-ene-1,4-dione

• ChemBase编号: 133766
• 分子式: C29H44O4
• 平均质量: 456.65726
• 单一同位素质量: 456.32395989
• SMILES: CC1=C(C(=O)C(C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• Canonical SMILES: COC1C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)C
• InChI: InChI=1S/C29H44O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18,28-29H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+
• InChIKey: MDLQEORKYVBTDV-INVBOZNNSA-N

名称和登记号

名称

• IUPAC标准名: 5,6-dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohex-2-ene-1,4-dione
• IUPAC传统名: 5,6-dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohex-2-ene-1,4-dione
• 别名: 2,3-Dimethoxy-5-methyl-6-(geranylgeranyl)-1,4-benzoquinone; Q-4; Ubiquinone-20; Ubiquinone-4; Coenzyme Q4

登记号

• CAS号: 4370-62-1
• MDL号: MFCD00077923
• Beilstein号: 2066531
• PubChem SID: 162228043; 24892492
• PubChem CID: 16219098

理论计算性质

• Acid pKa: 17.099367
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 7.5078707
• LogD (pH = 7.4): 7.5078707
• Log P: 7.5078707
• 摩尔折射率: 141.4612 cm^3
• 极化性: 53.753494 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90%

详细说明

Sigma Aldrich - C2470

Application
Coenzyme Q4 (CoQ4) is a 4 isoprenyl group member of a family of ubiquinones that share a quinine chemical group but differ in the number of isoprenyl chemical subunits in their tail. The CoQ compounds are lipid soluble components of cell membranes where they perform multiple functions such as electron and proton transport. The most well studied CoQ compound is CoQ10. CoQ4 is frequently used in comparison studies on the effect of isoprenyl chain length on CoQ functions or distribution.
Biochem/physiol Actions
Increases the fluorescence polarization of perylene incorporated into ubiquinone-depleted mitochondrial and bilayer vesicles prepared from mitochondrial phospholipids
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C2470.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.