Myricitrin

Base Information

• Chemical Name: Myricitrin
• CAS No.: 17912-87-7
• Molecular Formula: C21H20O12
• Molecular Weight: 464.383
• Hs Code.: 29389090
• European Community (EC) Number: 241-856-7
• UNII: 5Z0ZO61WPJ
• ChEMBL ID: CHEMBL522983
• DSSTox Substance ID: DTXSID40170771
• Metabolomics Workbench ID: 52697
• Nikkaji Number: J986E
• Wikidata: Q6948223
• Wikipedia: Myricitrin
• Mol file: 17912-87-7.mol

Synonyms:3,3',4',5,5',7-hexahydroxyflavone 3-rhamnoside;myricitrin

Chemical Property of Myricitrin

Chemical Property:

• Appearance/Colour: Light yellow to off-white crystalline powder
• Vapor Pressure: 1.44E-34mmHg at 25°C
• Melting Point: 197°C(lit.)
• Refractive Index: 1.805
• Boiling Point: 896.627 °C at 760 mmHg
• PKA: 6.16±0.40(Predicted)
• Flash Point: 315.666 °C
• PSA: 210.51000
• Density: 1.882 g/cm³
• LogP: 0.19430
• Storage Temp.: ?20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 464.09547607
• Heavy Atom Count: 33
• Complexity: 760

Purity/Quality:

99% ^*data from raw suppliers

Myricitrin ^*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: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
• Uses: It was isolated from the leaves of Myrtus communis an inhibitory activity against nifuroxazide, aflatoxine B1 and H2O2 induced mutagenicity. Antioxidant It was isolated from the leaves of Myrtus communis; shows antimutagenic activity. Myricitrin was a very potent radical scavenger with an IC50 value of 1.4 .mu.g/mL. Moreover, this compound induced an inhibitory activity against nifuroxazide, aflatoxine B1 and H2O2 induced mutagenicity. Antioxidant. Myricitrin may be used as an analytical reference standard for determination of the analyte in Folium Rhododendri Micranthi extract using high-performance liquid chromatography. It may also be used as an external standard in the validation of both commercial herbal medicines and crude material of Myrcia uniflora extracts using high-performance liquid chromatography technique.

Technology Process of Myricitrin

There total 3 articles about Myricitrin 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:

C42H46O25 → 3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one + C36H36O20 + myricitrin (17912-87-7)

Guidance literature:

With hesperidinase enzyme; In water; at 37 ℃; for 26h; Yield given. Yields of byproduct given;

DOI:10.1016/0031-9422(88)80223-1

Reference yield:

montbretin A → myricitrin (17912-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: naringinase enzyme / ethanol; H₂O / 96 h / 37 °C

2: hesperidinase enzyme / H₂O / 26 h / 37 °C

With hesperidinase enzyme; naringinase enzyme; In ethanol; water;

DOI:10.1016/0031-9422(88)80223-1

Reference yield:

C47H54O29 → myricitrin (17912-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: naringinase / ethanol; H₂O / 96 h / 37 °C

2: hesperidinase enzyme / H₂O / 26 h / 37 °C

With naringinase; hesperidinase enzyme; In ethanol; water;

DOI:10.1016/0031-9422(88)80223-1

Downstream raw materials:

L-Rhamnose

myricetin

3-hydroxy-5,7-dimethoxy-2–(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

Refernces