diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate structure
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Common Name | diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate | ||
|---|---|---|---|---|
| CAS Number | 6286-69-7 | Molecular Weight | 392.40000 | |
| Density | 1.299g/cm3 | Boiling Point | 525.9ºC at 760 mmHg | |
| Molecular Formula | C20H24O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 181.7ºC | |
| Name | diethyl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.299g/cm3 |
|---|---|
| Boiling Point | 525.9ºC at 760 mmHg |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40000 |
| Flash Point | 181.7ºC |
| Exact Mass | 392.14700 |
| PSA | 108.36000 |
| LogP | 1.58130 |
| Index of Refraction | 1.547 |
| InChIKey | HSXXKYCRIUTPKT-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc2c(c1)OCO2 |
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~84%
diethyl 2-benzo... CAS#:6286-69-7 |
| Literature: Brown; Dhal; Papin Tetrahedron, 1995 , vol. 51, # 47 p. 13061 - 13072 |
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~%
diethyl 2-benzo... CAS#:6286-69-7 |
| Literature: Walker Journal of the American Chemical Society, 1955 , vol. 77, p. 3664,3666 |
| Precursor 3 | |
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| DownStream 1 | |
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: 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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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: GPR151 activator identification: cell-based high-throughput counter-screen assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Glucose-dependent insulinotropic receptor; AltName: Full=G-protein coupled receptor 119
External Id: GPR119_PHUNTER_AG_LUMI_1536_3X%ACT CSRUN1
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Name: GPR151 activator identification: cell-based high-throughput confirmation assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_3X%ACT CRUN1
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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| diethyl 2-(benzo[d][1,3]dioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| 2,4-diethoxycarbonyl-5-hydroxy-5-methyl-3-(3,4-methylenedioxyphenyl)cyclohexan-1-one |
| 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid diethyl ester |
| 2-Benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexan-1,3-dicarbonsaeure-diaethylester |