Oroxylin A glucoronide

Base Information

• Chemical Name: Oroxylin A glucoronide
• CAS No.: 36948-76-2
• Molecular Formula: C22H20O11
• Molecular Weight: 460.394
• UNII: O84RM2NAEQ
• ChEMBL ID: CHEMBL4171934
• DSSTox Substance ID: DTXSID201310901
• Metabolomics Workbench ID: 61761
• Nikkaji Number: J264.581E
• Wikidata: Q27131267
• Mol file: 36948-76-2.mol

Synonyms:oroxylin A-7-O-glucuronide;oroxylinA-7-O-beta-d-Glucuronide;oroxyloside

Chemical Property of Oroxylin A glucoronide

Chemical Property:

• Boiling Point: 796.6±60.0 °C(Predicted)
• PKA: 2.73±0.70(Predicted)
• PSA: 176.12000
• Density: 1.629±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 0.44520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 460.10056145
• Heavy Atom Count: 33
• Complexity: 763

Purity/Quality:

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

Oroxyloside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

Technology Process of Oroxylin A glucoronide

There total 4 articles about Oroxylin A glucoronide 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:

5-hydroxy-6-methoxyflavone-7-O-β-D-glucuronide methyl ester (82475-02-3) → oroxyloside (36948-76-2)

Guidance literature:

With sodium hydroxide; for 0.5h;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → oroxyloside (36948-76-2)

Guidance literature:

With diethyl ether; acetone;

Reference yield:

baicalin (21967-41-9,27462-75-5,31564-28-0) → Baicalein-6-O-β-D-glucopyranosiduronsaeure (35990-03-5) + 6-O-β-glucopyranuronosyl-baicalein 7-O-sulfate (126527-77-3) + baicalein-6-O-β-D-glucopyranuronoside-7-O-β-D-glucopyranuronoside (126553-37-5) + oroxyloside (36948-76-2)

Guidance literature:

by metabolism in rats;

DOI:10.1248/cpb.38.208

upstream raw materials:

baicalin

diazomethane

5-hydroxy-6-methoxyflavone-7-O-β-D-glucuronide methyl ester

oroxylin A

Downstream raw materials:

oroxylin A