3-[(7Z)-hexadec-7-en-1-yl]-4-methyl-2,5-dihydrofuran-2,5-dione

• ChemBase编号: 164026
• 分子式: C21H34O3
• 平均质量: 334.49286
• 单一同位素质量: 334.25079495
• SMILES: C1(=C(C(=O)OC1=O)CCCCCC/C=C\CCCCCCCC)C
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCC1=C(C)C(=O)OC1=O
• InChI: InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20(22)24-21(19)23/h10-11H,3-9,12-17H2,1-2H3/b11-10-
• InChIKey: GKEHXKQBMVJVBA-KHPPLWFESA-N

名称和登记号

名称

• IUPAC标准名: 3-[(7Z)-hexadec-7-en-1-yl]-4-methyl-2,5-dihydrofuran-2,5-dione
• IUPAC传统名: 3-[(7Z)-hexadec-7-en-1-yl]-4-methylfuran-2,5-dione
• 别名: (Z)-3-(7-Hexadecenyl)-4-methyl-2,5-furandione; Chaetomellic Anhydride B; Chaetomellic Acid B Anhydride

登记号

• CAS号: 84306-79-6
• PubChem SID: 162258161
• PubChem CID: 10314856

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.657634
• LogD (pH = 7.4): 7.657634
• Log P: 7.657634
• 摩尔折射率: 100.2474 cm^3
• 极化性: 39.03751 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - C291835

A potent inhibitor of Ras protein farnesyltransferase.

参考文献

• Gibbs, J.B., et al.: J. Biol. Chem., 268, 7618 (1993)
• Tamanoi, F., et al.: Trends Biochem. Sci., 18, 349 (1993)