Barbatic acid结构式
|
常用名 | Barbatic acid | 英文名 | Barbatic acid |
|---|---|---|---|---|
| CAS号 | 17636-16-7 | 分子量 | 360.35800 | |
| 密度 | 1.328g/cm3 | 沸点 | 574.5ºC at 760 mmHg | |
| 分子式 | C19H20O7 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 205.3ºC |
Barbatic acid用途巴巴酸是一种活性化合物[1]。 |
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 | 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid |
|---|---|
| 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 | 1.328g/cm3 |
|---|---|
| 沸点 | 574.5ºC at 760 mmHg |
| 分子式 | C19H20O7 |
| 分子量 | 360.35800 |
| 闪点 | 205.3ºC |
| 精确质量 | 360.12100 |
| PSA | 113.29000 |
| LogP | 3.25740 |
| InChIKey | NMKBRSYSHBPUPY-UHFFFAOYSA-N |
| SMILES | COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C |
| 蒸汽压 | 4.87E-14mmHg at 25°C |
| 折射率 | 1.613 |
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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~%
Barbatic acid 17636-16-7 |
| 文献:Kumar, Sunil; Mueller, Klaus European Journal of Medicinal Chemistry, 1999 , vol. 34, # 12 p. 1035 - 1042 |
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~%
Barbatic acid 17636-16-7 |
| 文献:Kumar, Sunil; Mueller, Klaus European Journal of Medicinal Chemistry, 1999 , vol. 34, # 12 p. 1035 - 1042 |
|
~%
Barbatic acid 17636-16-7 |
| 文献:Kumar, Sunil; Mueller, Klaus European Journal of Medicinal Chemistry, 1999 , vol. 34, # 12 p. 1035 - 1042 |
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~%
Barbatic acid 17636-16-7 |
| 文献:Kumar, Sunil; Mueller, Klaus European Journal of Medicinal Chemistry, 1999 , vol. 34, # 12 p. 1035 - 1042 |
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: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
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT 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。
| 2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid 4'-carboxy-3'-hydroxy-2',5'-dimethylphenyl ester |
| barbatinic acid |
| Barbatinsaeure |
| barbatic acid |
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: 17636-16-7的CAS号是多少? |
| A: 17636-16-7CAS号为17636-16-7。 |
| Q: 17636-16-7有什么用途? |
| A: 17636-16-7主要用途:巴巴酸是一种活性化合物[1]。 |
| Q: 17636-16-7的LogP(油水分配系数)是多少? |
| A: 17636-16-7LogP(油水分配系数)为3.25740。 |
| Q: 17636-16-7的极性表面积PSA是多少? |
| A: 17636-16-7极性表面积PSA为113.29000。 |
| Q: 17636-16-7的沸点是多少? |
| A: 17636-16-7沸点为574.5ºC at 760 mmHg。 |
| Q: 17636-16-7的InChIKey是什么? |
| A: 17636-16-7InChIKey为NMKBRSYSHBPUPY-UHFFFAOYSA-N。 |
| Q: 17636-16-7的英文名称是什么? |
| A: 17636-16-7英文名称为2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid。 |
| Q: 17636-16-7的SMILES表达式是什么? |
| A: 17636-16-7SMILES表达式为COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C。 |
| Q: 17636-16-7有哪些英文别名? |
| A: 17636-16-7英文别名有:2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid 4'-carboxy-3'-hydroxy-2',5'-dimethylphenyl ester、 barbatinic acid、 Barbatinsaeure、 barbatic acid。 |
| Q: 17636-16-7的中文名称是什么? |
| A: 17636-16-7的中文名称为17636-16-7。 |