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Nelumol A

更新时间:2025-08-22 12:58:41

Nelumol A结构式
Nelumol A结构式
品牌特惠专场
常用名 Nelumol A 英文名 nelumol a
CAS号 77836-86-3 分子量 346.46
密度 1.0±0.1 g/cm3 沸点 500.5±50.0 °C at 760 mmHg
分子式 C21H30O4 熔点 N/A
MSDS N/A 闪点 256.5±30.1 °C

 Nelumol A用途


奈鲁莫A是一种法尼糖样X受体(FXR)激动剂[1]。

 Nelumol A名称

中文名 (2E)-3-[4-[[(2E)-3,7-二甲基-2,6-辛二烯-1-基]氧基]-3,5-二甲氧基苯基]-2-丙烯-1-醇
英文名 (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]prop-2-en-1-ol
英文别名 更多

 Nelumol A物理化学性质

密度 1.0±0.1 g/cm3
沸点 500.5±50.0 °C at 760 mmHg
分子式 C21H30O4
分子量 346.46
闪点 256.5±30.1 °C
精确质量 346.214417
PSA 47.92000
LogP 5.20
InChIKey MWNIFFJAKKQUJF-NRHDHWSESA-N
SMILES COc1cc(C=CCO)cc(OC)c1OCC=C(C)CCC=C(C)C
外观性状 粉末
蒸汽压 0.0±1.3 mmHg at 25°C
折射率 1.540
储存条件 2-8℃,干燥,密闭

 Nelumol A安全信息

危害码 (欧洲) Xi

 Nelumol A合成线路

~86%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~56%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Bruyre, Celine; Genovese, Salvatore; Lallemand, Benjamin; Ionescu-Motatu, Alexandra; Curini, Massimo; Kiss, Robert; Epifano, Francesco Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 14 p. 4174 - 4179

~%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

Nelumol A结构式

Nelumol A

77836-86-3

文献:Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

 Nelumol A靶点实验

查看更多实验

实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
实验名称:Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 25 u...
来源:ChEMBL
靶标:Bile acid receptor
External Id:CHEMBL2025898
实验名称:Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 50 u...
来源:ChEMBL
靶标:Bile acid receptor
External Id:CHEMBL2025899
实验名称:Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 5 uM...
来源:ChEMBL
靶标:Bile acid receptor
External Id:CHEMBL2025896
实验名称:Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 10 u...
来源:ChEMBL
靶标:Bile acid receptor
External Id:CHEMBL2025897
实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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 Nelumol A英文别名

O-Geranylsinapyl alcohol
(2E)-3-(4-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-3,5-dimethoxyphenyl)-2-propen-1-ol
(E,E)-3-(4-((3,7-Dimethyl-2,6-octadienyl)oxy)-3,5-dimethoxyphenyl)-2-propen-1-ol
Nelumol A
4-O-geranyl-sinapyl alcohol
geranyloxy sinapyl alcohol
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