勞丹寧结构式
|
常用名 | 勞丹寧 | 英文名 | laudanine |
|---|---|---|---|---|
| CAS号 | 85-64-3 | 分子量 | 343.41700 | |
| 密度 | 1.159g/cm3 | 沸点 | 485.8ºC at 760 mmHg | |
| 分子式 | C20H25NO4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 247.6ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 中文名 | 勞丹寧 |
|---|---|
| 英文名 | laudanine |
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.159g/cm3 |
|---|---|
| 沸点 | 485.8ºC at 760 mmHg |
| 分子式 | C20H25NO4 |
| 分子量 | 343.41700 |
| 闪点 | 247.6ºC |
| 精确质量 | 343.17800 |
| PSA | 51.16000 |
| LogP | 3.12760 |
| InChIKey | MPYHGNAJOKCMAQ-UHFFFAOYSA-N |
| SMILES | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O |
| 折射率 | 1.574 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
|
~99%
勞丹寧 85-64-3 |
| 文献:Hara; Hashimoto; Hoshino; Umezawa Chemical and Pharmaceutical Bulletin, 1986 , vol. 34, # 5 p. 1946 - 1949 |
|
~82%
勞丹寧 85-64-3 |
| 文献:Orejarena Pacheco, Julio Cesar; Lahm, Guenther; Opatz, Till Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 4985 - 4992 |
|
~%
勞丹寧 85-64-3 |
| 文献:Frydman et al. Anales de la Asociacion Quimica Argentina (1921-2001), 1959 , vol. 47, p. 99,108 Tetrahedron, 1958 , vol. 4, p. 342,347 |
|
~%
勞丹寧 85-64-3 |
| 文献:Brozda, D. Polish Journal of Chemistry, 1994 , vol. 68, # 12 p. 2665 - 2670 |
|
~%
勞丹寧 85-64-3 |
| 文献:Nomura, Taiji; Kutchan, Toni M. Journal of Biological Chemistry, 2010 , vol. 285, # 10 p. 7722 - 7738 |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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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: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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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
|
本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| (+/-)-laudanidine |
| 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol |
| DL-laudanosoline |
| dl-laudanidine |
| 5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-[1]isoquinolylmethyl)-2-methoxy-phenol |
| 5-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-[1]isochinolylmethyl)-2-methoxy-phenol |
| (RS)-laudanosoline |
| (+-)-laudanosoline |
| 5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-2-methoxy-phenol |
| racemic laudanosoline |
| Laudanine |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 85-64-3的中文名称是什么? |
| A: 85-64-3的中文名称为勞丹寧。 |
| Q: 勞丹寧的极性表面积PSA是多少? |
| A: 勞丹寧极性表面积PSA为51.16000。 |
| Q: 勞丹寧的分子量是多少? |
| A: 勞丹寧分子量为343.41700。 |
| Q: 勞丹寧的CAS号是多少? |
| A: 勞丹寧CAS号为85-64-3。 |
| Q: 勞丹寧的分子式是什么? |
| A: 勞丹寧分子式为C20H25NO4。 |
| Q: 勞丹寧的SMILES表达式是什么? |
| A: 勞丹寧SMILES表达式为COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O。 |
| Q: 勞丹寧有哪些英文别名? |
| A: 勞丹寧英文别名有:(+/-)-laudanidine、 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol、 DL-laudanosoline、 dl-laudanidine、 5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-[1]isoquinolylmethyl)-2-methoxy-phenol、 5-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-[1]isochinolylmethyl)-2-methoxy-phenol、 (RS)-laudanosoline、 (+-)-laudanosoline、 5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-2-methoxy-phenol、 racemic laudanosoline、 Laudanine。 |
| Q: 勞丹寧的沸点是多少? |
| A: 勞丹寧沸点为485.8ºC at 760 mmHg。 |
| Q: 勞丹寧的LogP(油水分配系数)是多少? |
| A: 勞丹寧LogP(油水分配系数)为3.12760。 |
| Q: 勞丹寧的InChIKey是什么? |
| A: 勞丹寧InChIKey为MPYHGNAJOKCMAQ-UHFFFAOYSA-N。 |