Nelumol A结构式
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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]。 |
| 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 |
| 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 |
| 危害码 (欧洲) | Xi |
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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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| 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 |