Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl methyl结构式
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常用名 | Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl methyl | 英文名 | Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl methyl |
|---|---|---|---|---|
| CAS号 | 484-18-4 | 分子量 | 248.27400 | |
| 密度 | 1.165g/cm3 | 沸点 | 424.7ºC at 760 mmHg | |
| 分子式 | C14H16O4 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 161ºC |
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。
| 英文名 | Alloevodionol |
|---|---|
| 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 | 1.165g/cm3 |
|---|---|
| 沸点 | 424.7ºC at 760 mmHg |
| 分子式 | C14H16O4 |
| 分子量 | 248.27400 |
| 闪点 | 161ºC |
| 精确质量 | 248.10500 |
| PSA | 55.76000 |
| LogP | 2.78760 |
| InChIKey | LTDSNAYFLFUPPT-UHFFFAOYSA-N |
| SMILES | COc1cc(O)c(C(C)=O)c2c1C=CC(C)(C)O2 |
| 蒸汽压 | 8.16E-08mmHg at 25°C |
| 折射率 | 1.547 |
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。
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~93%
Ketone, 7-hydro... 484-18-4 |
| 文献:Yong, Rok Lee; Xia, Likai Synthesis, 2007 , # 20 p. 3240 - 3246 |
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Ketone, 7-hydro... 484-18-4 |
| 文献:Ahluwalia, V. K.; Jain, Anjula; Goyal, Madhuri Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 2 p. 166 - 167 |
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Ketone, 7-hydro... 484-18-4 |
| 文献:Ahluwalia, V. K.; Jain, Anjula; Goyal, Madhuri Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 2 p. 166 - 167 |
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Ketone, 7-hydro... 484-18-4 |
| 文献:IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. Patent: US2011/112182 A1, 2011 ; US 20110112182 A1 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 3 | |
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| 下游产品 0 | |
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: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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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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:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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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。
| alloevodinol |
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: 484-18-4的InChIKey是什么? |
| A: 484-18-4InChIKey为LTDSNAYFLFUPPT-UHFFFAOYSA-N。 |
| Q: 484-18-4的CAS号是多少? |
| A: 484-18-4CAS号为484-18-4。 |
| Q: 484-18-4的上游原料有哪些? |
| A: 484-18-4相关上游原料(CAS):107-86-8;7507-89-3;480-66-0。 |
| Q: 484-18-4的LogP(油水分配系数)是多少? |
| A: 484-18-4LogP(油水分配系数)为2.78760。 |
| Q: 484-18-4的分子式是什么? |
| A: 484-18-4分子式为C14H16O4。 |
| Q: 484-18-4的分子量是多少? |
| A: 484-18-4分子量为248.27400。 |
| Q: 484-18-4的中文名称是什么? |
| A: 484-18-4的中文名称为484-18-4。 |
| Q: 484-18-4的SMILES表达式是什么? |
| A: 484-18-4SMILES表达式为COc1cc(O)c(C(C)=O)c2c1C=CC(C)(C)O2。 |
| Q: 484-18-4的极性表面积PSA是多少? |
| A: 484-18-4极性表面积PSA为55.76000。 |
| Q: 484-18-4的英文名称是什么? |
| A: 484-18-4英文名称为Alloevodionol。 |