2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Base Information

• Chemical Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
• CAS No.: 13463-28-0
• Molecular Formula: C27H32O15
• Molecular Weight: 596.542
• Hs Code.: 29389090
• European Community (EC) Number: 236-668-7
• Wikipedia: Eriocitrin
• Mol file: 13463-28-0.mol

Synonyms:Eriocitrin;13463-28-0;AKOS025402179;AC-6042

Chemical Property of 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 161-190 °C
• Refractive Index: 1.727
• Boiling Point: 956.9 °C at 760 mmHg
• PKA: 7.15±0.40(Predicted)
• Flash Point: 316.9 °C
• PSA: 245.29000
• Density: 1.77 g/cm³
• LogP: -1.45960
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 596.17412031
• Heavy Atom Count: 42
• Complexity: 924

Purity/Quality:

98%,99%, ^*data from raw suppliers

Eriocitrin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
• Recent ClinicalTrials: Effect of Eriocitrin Supplementation in Subjects With Intermediate Hyperglycemia
• Description: Eriocitrin is a flavonoid originally isolated from lemon peel that has antioxidant and enzyme inhibitory activity. Eriocitrin inhibits lipid peroxidation in a cell-free assay when used at a concentration of 10 μM and enhances the effect of α-tocopherol on lipid peroxidation. It also decreases thiobarbituric acid reactive substances (TBARS) in rat plasma when administered at a dose of 75 μmol/kg, indicating a reduction in lipid peroxidation. Eriocitrin prevents acute exercise-induced increases in TBARS, Nε-(hexanoyl)lysine (HEL), o,o-dityrosine (DT), and nitrotyrosine (NT; ) in rat liver when administered at a dose of 600 mg/kg prior to exercise. It is also an inhibitor of monoamine oxidase A (MAO-A) and MAO-B (IC50s = 86.5 and 164 μM, respectively, for human recombinant receptors).
• Uses: Eriocitrin is one of the main flavonoids in citrus limon byproduct dried powder (CBP) that exhibits antioxidant activity.