Irigenin

Base Information

• Chemical Name: Irigenin
• CAS No.: 548-76-5
• Molecular Formula: C18H16 O8
• Molecular Weight: 360.32
• Hs Code.: 2914509090
• European Community (EC) Number: 208-958-3
• UNII: 6O4NX37350
• DSSTox Substance ID: DTXSID90203285
• Nikkaji Number: J6.451C
• Wikipedia: Irigenin
• Wikidata: Q2481557
• Metabolomics Workbench ID: 22554
• ChEMBL ID: CHEMBL487013
• Mol file: 548-76-5.mol

Synonyms:irigenin

Chemical Property of Irigenin

Chemical Property:

• Vapor Pressure: 2.71E-17mmHg at 25°C
• Melting Point: 189-192℃
• Boiling Point: 646.1°Cat760mmHg
• PKA: 6.36±0.20(Predicted)
• Flash Point: 237.7°C
• PSA: 118.59000
• Density: 1.461g/cm³
• LogP: 2.60260
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 360.08451746
• Heavy Atom Count: 26
• Complexity: 549

Purity/Quality:

99%, ^*data from raw suppliers

Irigenin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
• Uses: Irigenin is identified as an α-glucosidase inhibitors. Also, it is a lead compound to overcome Fibronectin EDA induced metastatic progression in lung carcinoma cells.

Technology Process of Irigenin

There total 2 articles about Irigenin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ irigenin (548-76-5)

Guidance literature:

With ethanol; sulfuric acid; water; im Rohr;

Reference yield:

→ irigenin (548-76-5)

Guidance literature:

Isomerengemisch X + XIII, Decarboxylierung (Erhitzen des Harzes);

DOI:10.1039/j39700001219

Reference yield:

irigenin (548-76-5) + water (7732-18-5) → formic acid (64-18-6) + Iretol (487-71-8) + (3-hydroxy-4,5-dimethoxy-phenyl)-acetic acid (99339-45-4)

Guidance literature:

im geschlossenen Gefaess;

Downstream raw materials:

formic acid

Iretol

(3-hydroxy-4,5-dimethoxy-phenyl)-acetic acid

2,3-dihydroirigenin

Refernces