Mearnsetin

Base Information

• Chemical Name: Mearnsetin
• CAS No.: 16805-10-0
• Molecular Formula: C16H12 O8
• Molecular Weight: 332.266
• Hs Code.: 2914509090
• UNII: 8NQ5Q3Q5ES
• DSSTox Substance ID: DTXSID20438720
• Nikkaji Number: J13.603D
• Wikipedia: Mearnsetin
• Wikidata: Q3332112
• Metabolomics Workbench ID: 25589
• ChEMBL ID: CHEMBL484633
• Mol file: 16805-10-0.mol

Synonyms:mearnsetin

Chemical Property of Mearnsetin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 699.442°C at 760 mmHg
• PKA: 6.30±0.40(Predicted)
• Flash Point: 264.615°C
• PSA: 140.59000
• Density: 1.731g/cm³
• LogP: 1.99660
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 332.05321734
• Heavy Atom Count: 24
• Complexity: 520

Purity/Quality:

HPLC≥97% ^*data from raw suppliers

Mearnsetin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

Technology Process of Mearnsetin

There total 3 articles about Mearnsetin 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: 31.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + myricetin (529-44-2) → 3,5,3',4',5'-pentahydroxy-7-methoxyflavone (16280-27-6) + 3,5,7-trihydroxy-2-(3,5-dihydroxy-4-methoxyphenyl)-4H-chromen-4-one (16805-10-0) + 7,4'-di-O-methylmyricetin + 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one

Guidance literature:

In methanol; diethyl ether; at 20 ℃; for 1h;

DOI:10.1248/cpb.50.788

Reference yield:

5,7,3',5'-tetrahydroxy-4'-methoxyflavonol 3-O-β-D-xylopyranoside → D-Xylose (87-72-9,608-45-7,608-46-8,608-47-9,2460-44-8,6748-95-4,6763-34-4,7261-26-9,7283-06-9,7283-07-0,7296-55-1,7296-56-2,7296-58-4,7296-59-5,7296-60-8,7296-61-9,7296-62-0,7322-30-7,10257-31-5,10257-32-6,10257-33-7,10257-34-8,10257-35-9,19982-83-3,20242-88-0,28697-53-2,36562-42-2,41546-41-2,89299-64-9,107655-34-5,115794-06-4,115794-07-5,130550-15-1,130606-21-2) + 3,5,7-trihydroxy-2-(3,5-dihydroxy-4-methoxyphenyl)-4H-chromen-4-one (16805-10-0)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 2h;

DOI:10.1016/j.phytol.2014.08.009

Reference yield:

→ 3,5,7-trihydroxy-2-(3,5-dihydroxy-4-methoxyphenyl)-4H-chromen-4-one (16805-10-0)

Guidance literature:

5,7-Dihydroxy-4'-methoxy-3',5'-dibenzyloxyflavonol III, H2, Pd/C;

upstream raw materials:

diazomethane

myricetin

Refernces

• 1、 Matsuda, Hisashi,Morikawa, Toshio,Toguchida, Iwao,Yoshikawa, Masayuki. "Structural requirements of flavonoids and related compounds for aldose reductase inhibitory activity". . p. 788 - 795. Retrieved 2007/10/03.