Isoquercitrin

Base Information

• Chemical Name: Isoquercitrin
• CAS No.: 21637-25-2
• Molecular Formula: C21H20O12
• Molecular Weight: 464.383
• Hs Code.: 29389090
• European Community (EC) Number: 244-488-5
• UNII: 0YX10VRV6J
• DSSTox Substance ID: DTXSID80904976
• Nikkaji Number: J11.252F
• Wikidata: Q27103621
• NCI Thesaurus Code: C99879
• Metabolomics Workbench ID: 51667
• Mol file: 21637-25-2.mol

Synonyms:2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy;flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside;isoquercetin;isoquercitin;isoquercitrin;isoquercitroside;isotrifoliin;quercetin 3-(beta-D-glucofuranoside);quercetin 3-O-beta-D-glucofuranoside;quercetin-3-glucoside;quercetin-3-O-beta-glucoside;quercetin-3-O-glucoside;trifoliin;trifoliin A

Chemical Property of Isoquercitrin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 225-227°
• Refractive Index: 1.803
• Boiling Point: 916.258 °C at 760 mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 322.305 °C
• PSA: 210.51000
• Density: 1.879 g/cm³
• LogP: -0.53890
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly, Heated), Ethyl Acetate (Slightly), Methanol (Slightly, Heated, S
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 464.09547607
• Heavy Atom Count: 33
• Complexity: 758

Purity/Quality:

Isoquercitrin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O
• Uses: Isoquercitroside is a flavonoid compound that is within medicinal plants which displays various biological activity. This includes inhibition of adipocyte differentiation.

Technology Process of Isoquercitrin

There total 3 articles about Isoquercitrin 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: 95.1%

rutin (153-18-4) → isoquercitrin (21637-25-2)

Guidance literature:

With α-L-rhamnosidase from Aspergillus niger JMU-TS528; at 60 ℃; for 1h; pH=3 - 5; pH-value; Temperature; Concentration; Kinetics; Catalytic behavior; Enzymatic reaction;

DOI:10.1080/10826068.2019.1655763

Reference yield:

→ isoquercitrin (21637-25-2)

Guidance literature:

Reference yield:

→ Quercetin-3-galactosid (21637-25-2,35589-21-0,38975-80-3)

Guidance literature:

Glykosid (II), KOH;

DOI:10.1007/BF00568484

upstream raw materials:

rutin

Downstream raw materials:

D-glucose

quercetol

Refernces

• 1、 -. "Quercetin Glycoside Composition and Method of Preparing the Same". . . Retrieved 2009/06/27.