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2’,4’,6’,4-四甲氧基查尔酮 | 94103-36-3

2’,4’,6’,4-四甲氧基查尔酮结构式图片|94103-36-3结构式图片
2’,4’,6’,4-四甲氧基查尔酮
2',4',6',4-tetramethoxychalcone
94103-36-3
C19H20O5
328.359106063843
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2’,4’,6’,4-四甲氧基查尔酮结构式
5378566
名称和标识符
InChIKey JQNMAEHFTQBROH-JXMROGBWSA-N
Inchi 1S/C19H20O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-12H,1-4H3/b10-7+
SMILES C(C1C(OC)=CC(OC)=CC=1OC)(=O)/C=C/C1C=CC(OC)=CC=1
别名信息
- 中文别名 -
- 英文别名 -
  • 2',4',6',4-tetramethoxychalcone
  • 2,4,4',6-Tetramethoxy-chalcon
  • 2,4,6,4'-Tetramethoxychalcon
  • 4,2',4',6'-tetramethoxychalcone
  • 4.2'.4'.6'-tetramethoxy-trans(?)-chalcone
  • 4.2'.4'.6'-Tetramethoxy-trans(?)-chalkon
  • Tetra-Me ether-Chalconaringenin
  • (2E)-3-(4-Methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one (ACI)
  • 2-Propen-1-one, 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-, (E)- (ZCI)
  • 25163-67-1
  • 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
  • FS-7343
  • 4,2',4',6'-TETRAMETHOXYCHALCONE
  • JQNMAEHFTQBROH-JXMROGBWSA-N
  • 94103-36-3
  • 2',4,4',6'-Tetramethoxychalcone
  • CHEMBL32339
  • AKOS024287187
  • (E)-1-(2,4,6-Trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
  • (2E)-3-(4-Methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one #
  • AQ-358/42003066
  • 2',4',6',4-Tetramethoxychalcone
  • (E)-1-(2,4,6-Trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, AldrichCPR
  • (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
物化性质
计算特性
精确分子量 328.13107373g/mol
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 7
同位素质量 328.13107373g/mol
重原子数量 24
复杂度 400
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.6
拓扑分子极性表面积 54Ų
合成路线

合成路线:1 步

反应条件:
参考文献:
Mechanisms of action and structure-activity relationships of cytotoxic flavokawain derivatives
Thieury, Charlotte; Lebouvier, Nicolas; Le Guevel, Remy; Barguil, Yann; Herbette, Gaetan; et al, Bioorganic & Medicinal Chemistry, 2017, 25(6), 1817-1829

合成路线:1 步

反应条件:
参考文献:
Synthesis of Isobavachalcone and Some Organometallic Derivatives
Grealis, John P.; Mueller-Bunz, Helge; Ortin, Yannick; Casey, Michael; McGlinchey, Michael J., European Journal of Organic Chemistry, 2013, 2013(2), 332-347

合成路线:1 步

参考文献:
Synthesis of chalcones via lithium arylides
Li, Liangzhu; Zhao, Zhigang; Yuan, Jinfang; Gao, Dali, Gaodeng Xuexiao Huaxue Xuebao, 1992, 13(8), 1071-4

合成路线:1 步

反应条件:
参考文献:
4-Fluoro-3',4',5'-trimethoxychalcone as a new anti-invasive agent. From discovery to initial validation in an in vivo metastasis model
Roman, Bart I.; De Ryck, Tine; Patronov, Atanas; Slavov, Svetoslav H.; Vanhoecke, Barbara W. A.; et al, European Journal of Medicinal Chemistry, 2015, 101, 627-639

合成路线:1 步

参考文献:
2'-Substituted chalcone derivatives as inhibitors of interleukin-1 biosynthesis
Batt, Douglas G.; Goodman, Robin; Jones, David G.; Kerr, Janet S.; Mantegna, Lisa R.; et al, Journal of Medicinal Chemistry, 1993, 36(10), 1434-42

合成路线:1 步

参考文献:
Synthesis of chalcones via lithium arylides
Zhao, Zhi-Gang; Li, Liang-Zhu; Liao, Rong, Chengdu Ligong Xueyuan Xuebao, 2000, 27(2), 217-220

合成路线:1 步

反应条件:
参考文献:
Enantioselective Ring Opening of meso-Epoxides with Silicon Tetrachloride Catalyzed by Pyridine N-Oxides Fused with the Bicyclo[3.3.1]nonane Framework
Neniskis, Algirdas; Stoncius, Sigitas, European Journal of Organic Chemistry, 2015, 2015(28), 6359-6369

合成路线:1 步

反应条件:
参考文献:
Efficient synthesis of apigenin
Zhang, Ji; Liu, Man; Cui, Wei; Yang, Jian; Liao, Xia-li, Journal of Chemical Research, 2013, 37(11), 694-696

合成路线:1 步

反应条件:
参考文献:
Synthesis and pharmacological activity of chalcones derived from 2,4,6-trimethoxyacetophenone in RAW 264.7 cells stimulated by LPS: Quantitative structure-activity relationships
Chiaradia, Louise Domeneghini; dos Santos, Rodrigo; Vitor, Carlos Eduardo; Vieira, Andre Alexandre; Leal, Paulo Cesar; et al, Bioorganic & Medicinal Chemistry, 2008, 16(2), 658-667

合成路线:1 步

反应条件:
参考文献:
Synthesis of Xanthohumol Analogues and Discovery of Potent Thioredoxin Reductase Inhibitor as Potential Anticancer Agent
Zhang, Baoxin; Duan, Dongzhu; Ge, Chunpo; Yao, Juan; Liu, Yaping; et al, Journal of Medicinal Chemistry, 2015, 58(4), 1795-1805

合成路线:1 步

反应条件:
参考文献:
Trimethoxy-chalcone derivatives inhibit growth of Leishmania braziliensis: Synthesis, biological evaluation, molecular modeling and structure-activity relationship (SAR)
Bello, Murilo Lamim; Chiaradia, Louise Domeneghini; Dias, Luiza Rosaria Sousa; Pacheco, Leticia Kramer; Stumpf, Taisa Regina; et al, Bioorganic & Medicinal Chemistry, 2011, 19(16), 5046-5052

合成路线:1 步

反应条件:
参考文献:
Comparative study on the MDR reversal effects of selected chalcones
Ivanova, A. B.; Batovska, D. I.; Todorova, I. T.; Stamboliyska, B. A.; Serly, J.; et al, International Journal of Medicinal Chemistry, 2011, 530780,

合成路线:1 步

反应条件:
参考文献:
Anti-invasive compounds
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Anti-invasive compounds
, United States, , ,
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专业数据库参考
PubChemId 5378566
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