(9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol

• ChemBase编号: 168859
• 分子式: C17H24O
• 平均质量: 244.37186
• 单一同位素质量: 244.18271539
• SMILES: C(C#CC#CC/C=C\CCCCCCC)(C=C)O
• Canonical SMILES: CCCCCCC/C=C\CC#CC#CC(C=C)O
• InChI: InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-
• InChIKey: UGJAEDFOKNAMQD-KHPPLWFESA-N

名称和登记号

名称

• IUPAC标准名: (9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
• IUPAC传统名: panaxynol
• 别名: (9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol; (cis)-3-Hydroxy-1,9-heptadecadien-4,6-diyne; Panaxynol; rac-Falcarinol

登记号

• CAS号: 4117-12-8
• PubChem SID: 162262991
• PubChem CID: 5283273

理论计算性质

• Acid pKa: 13.289411
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.449993
• LogD (pH = 7.4): 5.4499927
• Log P: 5.449993
• 摩尔折射率: 81.2642 cm^3
• 极化性: 30.027004 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - F101100

Falcarinol is a covalent cannabinoid CB1 receptor antagonist and induces pro-allergic effects in skin. A natural pesticide produced by carrots and red ginseng, protecting hosts roots from various fungal diseases. It has been shown to have nutritional bene

参考文献

• Czepa, A., et al.: J. Agric. Food Chem., 52, 4508 (2004)
• Radulovic, N., et al.: Chem. Nat. Compds., 44, 390 (2004)