Quercetagetin

Base Information

• Chemical Name: Quercetagetin
• CAS No.: 90-18-6
• Molecular Formula: C15H10 O8
• Molecular Weight: 318.24
• European Community (EC) Number: 201-973-6
• UNII: SV68G507VO
• ChEMBL ID: CHEMBL413552
• DSSTox Substance ID: DTXSID80237978
• Metabolomics Workbench ID: 26066
• Nikkaji Number: J10.601A
• NSC Number: 115916
• Wikidata: Q5931085
• Wikipedia: Quercetagetin
• Mol file: 90-18-6.mol

Synonyms:3,5,6,7,3',4'-hexamethoxyflavone;3,5,6,7-Tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one;quercetagetin;quercetogetin

Chemical Property of Quercetagetin

Chemical Property:

• Vapor Pressure: 1.61E-22mmHg at 25°C
• Melting Point: >300°C
• Boiling Point: 732.4 °C at 760 mmHg
• PKA: 6.12±0.40(Predicted)
• Flash Point: 280.3 °C
• PSA: 151.59000
• Density: 1.912 g/cm³
• LogP: 1.69360
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 318.03756727
• Heavy Atom Count: 23
• Complexity: 518

Purity/Quality:

≥98% ^*data from raw suppliers

Quercetagetin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O

Technology Process of Quercetagetin

There total 23 articles about Quercetagetin 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:

quercetagetin-6-O-(6-O-caffeoyl-β-D-glucopyranoside) → caffeic acid (331-39-5,501-16-6) + quercetagetin (90-18-6)

Guidance literature:

With hydrogenchloride; In water; for 4h; Reflux;

DOI:10.3390/molecules19032819

Reference yield:

quercetol (117-39-5,74893-81-5) → quercetagetin (90-18-6)

Guidance literature:

With Agrocybe aegerita peroxygenase; dihydrogen peroxide; ascorbic acid; In water; N,N-dimethyl-formamide; at 20 ℃; for 8h; pH=7; regioselective reaction; phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.tet.2011.05.008

Reference yield:

kaempferol (520-18-3) → quercetagetin (90-18-6)

Guidance literature:

With oxygen; NADP+; flavin adenine dinucleotide; at 30 ℃; pH=7; Enzymatic reaction;

DOI:10.1016/j.phytochem.2009.04.017

upstream raw materials:

gossypetin

2-(3,4-dimethoxy-phenyl)-5,7,8-trihydroxy-3-methoxy-chromen-4-one

2-(3,4-dimethoxy-phenyl)-3-hydroxy-5,6,7-trimethoxy-chromen-4-one

2-(3,4-dimethoxy-phenyl)-6-hydroxy-3,5,7-trimethoxy-chromen-4-one

Downstream raw materials:

3,4-Dihydroxybenzoic acid

5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one

chrysoplenitin

Refernces

• 1、 Smith et al.. "-". . p. 3115,3117. Retrieved 1971.
• 2、 Barková, Kate?ina,Kinne, Matthias,Ullrich, René,Hennig, Lothar,Fuchs, Annett,Hofrichter, Martin. "Regioselective hydroxylation of diverse flavonoids by an aromatic peroxygenase". experimental part. p. 4874 - 4878. Retrieved 2011/08/03.