5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 72988
• Molecular Formular: C20H20O7
• Molecular Mass: 372.3686
• Monoisotopic Mass: 372.12090298
• SMILES: c1(c(c(c2c(c1OC)oc(cc2=O)c1ccc(cc1)OC)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
• InChI: InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
• InChIKey: ULSUXBXHSYSGDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: tangeretin
• Synonyms: Tangeritin; Ponkanetin; Pentamethoxyflavone; Tangeretin; Tangeritin

Database IDs

• CAS Number: 481-53-8
• PubChem SID: 162037908
• PubChem CID: 68077
• Unique Ingredient Identifier: I4TLA1DLX6
• Wikipedia Title: Tangeritin

CALCULATED PROPERTIES

• Acid pKa: 15.263192
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.1790287
• LogD (pH = 7.4): 2.1790287
• Log P: 2.1790287
• Molar Refractivity: 99.2872 cm^3
• Polarizability: 37.90371 Å^3
• Polar Surface Area: 72.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-156 °C
• Boiling Point: 565.3 ± 50.0 °C
• Density: 1.244 ± 0.06 g/cm3

Safety Information

• Storage Condition: -20°C

Product Information

• Salt Data: Free Base

DETAILS

Selleck Chemicals - S2363

Research Area: Neurological Disease
Biological Activity:
Tangeretin(Tangeritin) is a citrus flavonoids. It has the typical flavonoid structure and contains 5 methoxyl groups. This high level of methoxylation increases the hydrophobic character of tangeretin. It has a very bitter taste. Only recently have scientists studied the biological activity of tangeretin. They found that tangeretin is readily absorbed in tissues and that it has many beneficial properties such lowering of cholesterol, anti-tumor activity and neuroprotective action. [1]

REFERENCES

• http://www.phytochemicals.info/phytochemicals/tangeretin.php