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5,6,7三甲氧基黄酮 | 973-67-1

5,6,7三甲氧基黄酮
5,6,7-Trimethoxyflavone
973-67-1
C18H16O5
312.316645622253
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5,6,7三甲氧基黄酮结构式
442583
简介
5,6,7-Trimethoxyflavone 是一种具有抗炎作用的 p38-α MAPK 抑制剂。5,6,7-Trimethoxyflavone,从几种植物中分离出,包括 Zeyhera tuberculosa, Callicarpa japonica,和 Kickxia lanigera。
名称和标识符
MDL MFCD00017457
InChIKey HJNJAUYFFFOFBW-UHFFFAOYSA-N
Inchi 1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3
SMILES O=C1C2C(=CC(=C(C=2OC)OC)OC)OC(C2C=CC=CC=2)=C1
别名信息
- 中文别名 -
  • 5,6,7三甲氧基黄酮
  • 5,6,7-三甲氧基黄酮
  • 黄岑素-5,6,7-三甲醚
  • 黄芩黄素-5,6,7-三甲基醚(RG)
  • 黄芩素-5,6,7-三甲基醚
- 英文别名 -
  • 5,6,7-Trimethoxyflavone
  • Baicalein trimethyl ether
  • 5,6,7-trimethoxy-2-phenylchromen-4-one
  • BAICALEIN-5,6,7-TRIMETHYLETHER
  • BAICALEIN-5,6,7-TRIMETHYLETHER(RG) PrintBack
  • Baicalein-5.6.7-trimethylether
  • 5,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
  • 5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one
  • 5,6,7-Trimethoxy-2-phenyl-chromen-4-on
  • 5,6,7-trimethoxy-2-phenyl-chromen-4-one
  • 5,6,7-Trimethylbaicalein
  • 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one (ACI)
  • Flavone, 5,6,7-trimethoxy- (7CI, 8CI)
  • BRD-K64806788-001-01-4
  • s9328
  • Baicalein Trimethyl Ether
  • LMPK12111100
  • A845707
  • HJNJAUYFFFOFBW-UHFFFAOYSA-N
  • Q27105905
  • Baicalein 5,6,7-trimethyl ether
  • CHEBI:2980
  • CCG-267599
  • HY-110398
  • 973-67-1
  • 5,6,7-trimethoxyflavone, AldrichCPR
  • ST056254
  • SCHEMBL971297
  • MFCD00017457
  • F82210
  • NCGC00180294-01
  • CS-0040433
  • AKOS027381289
  • AS-59613
  • DTXSID30331879
  • 4H-1-Benzopyran-4-one,5,6,7-trimethoxy-2-phenyl-
  • CHEMBL182992
  • FT-0619807
  • ACon1_001643
物化性质
实验特性
LogP 3.48580
PSA 57.90000
折射率 1.585
沸点 497.4°C at 760 mmHg
熔点 168-169 ºC
蒸气压 0.0±1.3 mmHg at 25°C
闪点 221.3°C
溶解度 几乎不溶 (0.013 g/L) (25 ºC),
颜色与性状 未确定。
溶解性 未确定
密度 1.242±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 312.10000
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 4
同位素质量 312.1
重原子数量 23
复杂度 454
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 0
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) 3.1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 54A^2
海关数据
海关编码 2914509090
海关数据

中国海关编码:

2914509090

概述:

2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Method for preparing baicalein from 3,4,5-trimethoxyphenol
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Total synthesis of baicalein
Chen, Duo-Zhi; Yang, Jian; Yang, Bo; Wu, Yuan-Shuang; Wu, Ting, Journal of Asian Natural Products Research, 2010, 12(2), 124-128

合成路线:1 步

反应条件:
参考文献:
Fine tuning of a reported synthetic route for biologically active flavonoid, baicalein
Kim, Sanghee; Sohn, Dae Won; Kim, Youn Chul; Kim, Soon-Ai; Lee, Sang Kook; et al, Archives of Pharmacal Research, 2007, 30(1), 18-21

合成路线:1 步

反应条件:
参考文献:
Oroxylin A analogs exhibited strong inhibitory activities against iNOS-mediated nitric oxide (NO) production
Pham, Tuan-Ahn. N.; Che, Haiyan; Phan, Phuong-Thuy T.; Lee, Jae-Won; Kim, Sung-Soo; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(7), 2534-2535

合成路线:1 步

反应条件:
参考文献:
Synthesis of baicalein derivatives as potential anti-aggregatory and anti-inflammatory agents
Huang, Wen-Hsin; Lee, An-Rong; Chien, Pei-Yu; Chou, Tz-Chong, Journal of Pharmacy and Pharmacology, 2005, 57(2), 219-225

合成路线:1 步

反应条件:
参考文献:
Increased Anti-P-glycoprotein Activity of Baicalein by Alkylation on the A Ring
Lee, Yashang; Yeo, Hosup; Liu, Shwu-Huey; Jiang, Zaoli; Savizky, Ruben M.; et al, Journal of Medicinal Chemistry, 2004, 47(22), 5555-5566

合成路线:1 步

反应条件:
参考文献:
Synthesis and evaluation of selenoflavones that have potential neuroprotective effects
Choi, Yong-Sung; Kim, Yoon-Jung; Lee, Ju Yeun; Lee, Jinu; Jeong, Jin-Hyun, Heterocycles, 2014, 89(12), 2794-2805

合成路线:1 步

反应条件:
参考文献:
Methods of synthesizing flavonoids and chalcones
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Novel synthesis of flavonoids of scutellaria baicalensis Georgi
Huang, Wen-Hsin; Chien, Pei-Yu; Yang, Ching-Huey; Lee, An-Rong, Chemical & Pharmaceutical Bulletin, 2003, 51(3), 339-340

合成路线:1 步

反应条件:
参考文献:
4'-Bromo-5,6,7-trimethoxyflavone represses lipopolysaccharide-induced iNOS and COX-2 expressions by suppressing the NF-κB signaling pathway in RAW 264.7 macrophages
Kim, Dong Han; Yun, Chang Hyeon; Kim, Min Hwan; Naveen Kumar, Ch.; Yun, Bo Hee; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(1), 700-705

合成路线:1 步

反应条件:
参考文献:
Activities of wogonin analogs and other flavones against Flavobacterium columnare
Tan, Cheng-Xia; Schrader, Kevin K.; Khan, Ikhlas A.; Rimando, Agnes M., Chemistry & Biodiversity, 2015, 12(2), 259-272

合成路线:1 步

反应条件:
参考文献:
Structural modification of the A-ring baicalein
Zhu, Zheng-Hui; Lei, Ze; Jiang, Ming-Zhong; Mu, Xiao-Yun; Fu, Zheng-Qi; et al, Yingyong Huaxue, 2010, 27(9), 1038-1041

合成路线:1 步

反应条件:
参考文献:
Synthesis of Ring A-Modified Baicalein Derivatives
Wang, Jun-Fei; Ding, Ning; Zhang, Wei; Wang, Peng; Li, Ying-Xia, Helvetica Chimica Acta, 2011, 94(12), 2221-2230

合成路线:1 步

反应条件:
参考文献:
Synthesis and anti-aggregatory of Baicalein derivatives functionalized on the B-ring
Wang, Jing; Liu, Xiang; Dong, Baoping, AIChE Annual Meeting, 2011, (2011),

合成路线:1 步

反应条件:
参考文献:
Synthesis and anticancer activities of 5,6,7-trimethylbaicalein derivatives
Liao, Hua-Lin; Hu, Ming-Kuan, Chemical & Pharmaceutical Bulletin, 2004, 52(10), 1162-1165

合成路线:1 步

反应条件:
参考文献:
Synthesis of 5,6,7-trimethoxyflavone as a key intermediate for the preparation of baicalein
Huang, Wen-Hsin; Yang, Ching-Huey; Chien, Pei-Yu; Lee, An-Rong, Chinese Pharmaceutical Journal (Taipei, 2003, 55(2), 101-107

合成路线:1 步

反应条件:
参考文献:
α-Glucosidase inhibition of 6-hydroxyflavones. Part 3: Synthesis and evaluation of 2,3,4-trihydroxybenzoyl-containing flavonoid analogs and 6-aminoflavones as α-glucosidase inhibitors
Gao, Hong; Kawabata, Jun, Bioorganic & Medicinal Chemistry, 2005, 13(5), 1661-1671

合成路线:1 步

反应条件:
参考文献:
Divergent Approach to Flavones and Aurones via Dihaloacrylic Acids. Unexpected Dependence on the Halogen Atom
Kraus, George A.; Gupta, Vinayak, Organic Letters, 2010, 12(22), 5278-5280

合成路线:1 步

反应条件:
参考文献:
Synthesis of highly functionalized flavones and chromones using cycloacylation reactions and C-3 functionalization. A total synthesis of hormothamnione
McGarry, Lynda W.; Detty, Michael R., Journal of Organic Chemistry, 1990, 55(14), 4349-56

合成路线:1 步

反应条件:
参考文献:
Preparation of A ring alkylated baicalein analogs with anti-P-glycoprotein activity
, World Intellectual Property Organization, , ,
相关文献
专业数据库参考
PubChemId 442583
化合物详情(旧版)

SMILES

COC1=C(OC)C(OC)=C2C(=C1)OC(C3=CC=CC=C3)=CC2=O

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