Chrysosplenetin

Base Information

• Chemical Name: Chrysosplenetin
• CAS No.: 603-56-5
• Molecular Formula: C19H18 O8
• Molecular Weight: 374.347
• UNII: 9AA5Z8PMYE
• ChEMBL ID: CHEMBL33256
• DSSTox Substance ID: DTXSID80975707
• Metabolomics Workbench ID: 26092
• Nikkaji Number: J326.151D
• Wikidata: Q5114941
• Wikipedia: Chrysosplenetin
• Mol file: 603-56-5.mol

Synonyms:Chrysosplenetin;603-56-5;Chrysosplenetin B;Quercetagetin 3,6,7,3'-tetramethyl ether;5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxychromen-4-one;3,6,7,3'-tetra-methylquercetagetin;9AA5Z8PMYE;CHEBI:3689;5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone;69234-29-3;UNII-9AA5Z8PMYE;Chrysosptertin B;CHRYSOSPLENOL B;4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-;CHEMBL33256;SCHEMBL2369883;DTXSID80975707;3,6,7,3'-tetramethylquercetagetin;HY-N1457;LMPK12113009;AKOS032948393;4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-;AC-34597;MS-26045;CS-0016903;FT-0777050;C10030;A868993;Q5114941;5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one;4H-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-;5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one

Chemical Property of Chrysosplenetin

Chemical Property:

• Vapor Pressure: 9.28E-16mmHg at 25°C
• Melting Point: 203-205 °C
• Boiling Point: 615.8oC at 760 mmHg
• PKA: 6.13±0.40(Predicted)
• Flash Point: 222.7oC
• PSA: 107.59000
• Density: 1.44g/cm3
• LogP: 2.90560
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 374.10016753
• Heavy Atom Count: 27
• Complexity: 576

Purity/Quality:

≥98% ^*data from raw suppliers

Chrysosplenetin >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O

Technology Process of Chrysosplenetin

There total 2 articles about Chrysosplenetin 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 (90-18-6) → 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one (23370-16-3) + chrysoplenitin (603-56-5,69234-29-3)

Guidance literature:

With O-methyl transferase from cell-free extract of Citrus mitis; <(14)CH3>-S-adenosyl-L-methionine; 2-hydroxyethanethiol; In water; dimethyl sulfoxide; at 35 ℃; for 0.5h; Product distribution; pH 7.5 buffer;

DOI:10.1016/0031-9422(80)85102-8

Reference yield:

→ chrysoplenitin (603-56-5,69234-29-3)

Guidance literature:

DOI:10.1246/bcsj.41.1413 DOI:10.1248/yakushi1947.88.10_1349

Reference yield: 85.0%

chrysoplenitin (603-56-5,69234-29-3) + methyl iodide (74-88-4) → 3,5,6,7,3',4'-Hexamethoxyflavon (1251-84-9)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.bioorg.2020.104243

upstream raw materials:

quercetagetin

Downstream raw materials:

3,5,6,7,3',4'-Hexamethoxyflavon

Refernces

• 1、 Shimizu,Morita. "The constituents of domestic Chrysosplenium genus plants. A new glycoside of Chrysosplenium tosaense Makino". . p. 1349 - 1351. Retrieved 2007/10/10.