scopolin

Modify Date: 2025-08-25 12:45:45

scopolin Structure
scopolin structure
Common Name scopolin
CAS Number 531-44-2 Molecular Weight 354.309
Density 1.6±0.1 g/cm3 Boiling Point 650.2±55.0 °C at 760 mmHg
Molecular Formula C16H18O9 Melting Point 217ºC
MSDS N/A Flash Point 241.5±25.0 °C

 Use of scopolin


Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].

 Names

Name scopolin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 650.2±55.0 °C at 760 mmHg
Melting Point 217ºC
Molecular Formula C16H18O9
Molecular Weight 354.309
Flash Point 241.5±25.0 °C
Exact Mass 354.095093
PSA 138.82000
LogP -1.87
Vapour Pressure 0.0±2.0 mmHg at 25°C
Index of Refraction 1.639
InChIKey SGTCGCCQZOUMJJ-YMILTQATSA-N
SMILES COc1cc2ccc(=O)oc2cc1OC1OC(CO)C(O)C(O)C1O

 Synthetic Route

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scopolin Structure

scopolin

CAS#:531-44-2

Literature: Chemistry of Natural Compounds, , vol. 18, # 6 p. 654 - 657 Khimiya Prirodnykh Soedinenii, , vol. 18, # 6 p. 691 - 695

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scopolin Structure

scopolin

CAS#:531-44-2

Literature: Chemistry of Natural Compounds, , vol. 16, # 2 p. 125 - 128 Khimiya Prirodnykh Soedinenii, , vol. 16, # 2 p. 168 - 172

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scopolin Structure

scopolin

CAS#:531-44-2

Literature: Angewandte Chemie - International Edition, , vol. 45, # 21 p. 3534 - 3538

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scopolin Structure

scopolin

CAS#:531-44-2

Literature: Song, Shuang; Li, Yixiu; Feng, Ziming; Jiang, Jianshuang; Zhang, Peicheng Journal of Natural Products, 2010 , vol. 73, # 2 p. 177 - 184

 scopolinBioassay

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Name: Inhibition of AChE at 1000 uM by microplate assay
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL919957
Name: Antimicrobial activity against Helicobacter pylori KA05 assessed as inhibition of bac...
Source: ChEMBL
Target: Helicobacter pylori
External Id: CHEMBL5242080
Name: Increase in extracellular acetylcholine in urethane anesthetized Sprague-Dawley rat n...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL919960
Name: Increase in extracellular acetylcholine in urethane anesthetized Sprague-Dawley rat n...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL919961
Name: Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stop...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL2341287
Name: Cytotoxicity against human CCD-18Co cells after 72 hrs by MTS assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1925854
Name: Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stop...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL2341286
Name: Cytotoxicity against human Caco2 cells after 72 hrs by MTS assay
Source: ChEMBL
Target: Caco-2
External Id: CHEMBL1925853
Name: Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stop...
Source: ChEMBL
Target: Carbonic anhydrase 7
External Id: CHEMBL2341285
Name: Antiinflammatory activity in NMRI mouse macrophages assessed as inhibition of A23187-...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL986774
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 Synonyms

Scopolin
Scopoletin glucoside
7-(β-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one
5Mg
7-(b-D-Glucopyranosyloxy)-6-methoxy-2H-1-benzopyran-2-one
Scopoletin 7-O-Glucoside
6-Methoxy-2-oxo-2H-chromen-7-yl β-D-glucopyranoside
2'-β-D-glucosyl scopolin
Murrayin
Scopolin (8CI)
CPD-678
Scopoletin 7-glucoside
7β-D-Glucopyranosyloxy-6-methoxycoumarin
Scopoline
Scopoloside
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