13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

• ChemBase编号: 172823
• 分子式: C15H10N2O2
• 平均质量: 250.2521
• 单一同位素质量: 250.07422757
• SMILES: c1c(cc2c(c1)c1c3n2c(=O)ccc3ncc1)OC
• Canonical SMILES: COc1ccc2c(c1)n1c(=O)ccc3c1c2ccn3
• InChI: InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
• InChIKey: OWCRARVHWCCRAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 13-methoxy-1,6-diazatetracyclo[7.6.1.0^5,^1^6.0^1^0,^1^5]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
• IUPAC传统名: 13-methoxy-1,6-diazatetracyclo[7.6.1.0^5,^1^6.0^1^0,^1^5]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
• 别名: 9-Methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one; 9-Methoxycanthin-6-one

登记号

• CAS号: 74991-91-6
• PubChem SID: 164228733
• PubChem CID: 9881423

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.64503
• LogD (pH = 7.4): 1.6550688
• Log P: 1.6551983
• 摩尔折射率: 70.9599 cm^3
• 极化性: 29.403112 Å^3
• 极化表面积: 44.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M261380

9-Methoxycanthin-6-one is a canthin-6-one alkaloid from the intact plant parts and callus cultures of Eurycoma longifolia (Tongkat Ali). Canthin-6-one alkaloids were evaluated for their cytotoxic activity against a HT-1080 human fibrosarcoma cell line.

参考文献

• Chan, K., et al.: Planta Medica, 2, 105 (1986)
• Kardono, L., et al.: J. Nat. Prod., 54, 1360 (1986)
• Tada, H., et al.: Eur. J. Med. Chem., 26, 345 (1986)
• Li, F., et al.: Bioorg. Med. Chem., 16, 5434 (1986)