21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one

• ChemBase编号: 73006
• 分子式: C19H17N3O
• 平均质量: 303.35778
• 单一同位素质量: 303.13716218
• SMILES: c1ccc2c(c1)c1c([nH]2)C2N(CC1)C(=O)c1c(N2C)cccc1
• Canonical SMILES: O=C1c2ccccc2N(C2N1CCc1c2[nH]c2c1cccc2)C
• InChI: InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
• InChIKey: TXDUTHBFYKGSAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one; 21-methyl-3,13,21-triazapentacyclo[11.8.0.0^2,^1^0.0^4,^9.0^1^5,^2^0]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
• IUPAC传统名: 21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one; evodiamine
• 别名: Isoevodiamine; Evodiamine(Isoevodiamine); Evodiamine

登记号

• CAS号: 518-17-2
• PubChem SID: 162037926
• PubChem CID: 151289
• CHEMBL: 486598
• Chemspider ID: 133343
• 维基百科标题: Evodiamine

理论计算性质

• Acid pKa: 14.914593
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.3167598
• LogD (pH = 7.4): 3.31676
• Log P: 3.31676
• 摩尔折射率: 91.0132 cm^3
• 极化性: 35.02149 Å^3
• 极化表面积: 39.34 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S2382

Research Area: Metabolic Disease
Biological Activity:
Evodiamine (Isoevodiamine) is an alkaloid extract from a plant known as Evodiae Fructus. The substance has been used as a weight loss supplement in Chinese medicine for centuries. It apparently works as a powerful stimulant that raises body temperature and increases metabolism while providing energy to the user. However, without proper clinical evidence to prove if this substance is effective for weight loss in humans it may be premature to consider evodiamine an effective weight loss ingredient. [1]

参考文献

• http://www.dietspotlight.com/evodiamine-review/