Centaureidin

Base Information

• Chemical Name: Centaureidin
• CAS No.: 17313-52-9
• Molecular Formula: C18H16 O8
• Molecular Weight: 360.32
• Hs Code.: 2914509090
• NSC Number: 106969
• UNII: 548R7290J9
• DSSTox Substance ID: DTXSID50169530
• Nikkaji Number: J94.547A
• Wikipedia: Centaureidin
• Wikidata: Q5059026
• Metabolomics Workbench ID: 26083
• ChEMBL ID: CHEMBL77552
• Mol file: 17313-52-9.mol

Synonyms:5,7,3'-trihydroxy-3,6,4'-trimethoxyflavone;centaureidin

Chemical Property of Centaureidin

Chemical Property:

• Vapor Pressure: 1.08E-15mmHg at 25°C
• Melting Point: 203℃
• Boiling Point: 649.9°Cat760mmHg
• Flash Point: 239.1°C
• PSA: 118.59000
• Density: 1.54g/cm³
• LogP: 2.60260
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 360.08451746
• Heavy Atom Count: 26
• Complexity: 561

Purity/Quality:

95%-98% ^*data from raw suppliers

CENTAUREIDIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
• Uses: Centaureidin is a is an O-methylated flavonol which can be isolated from the the family of plants known as Asteraceae.

Technology Process of Centaureidin

There total 2 articles about Centaureidin 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:

→ centaureidin (17313-52-9)

Guidance literature:

With sulfuric acid;

Reference yield:

→ centaureidin (17313-52-9)

Guidance literature:

DOI:10.1246/bcsj.42.2701 DOI:10.1007/BF02138625