Genistein 7-O-glucuronide

Base Information

Chemical Name:Genistein 7-O-glucuronide
CAS No.:38482-81-4
Molecular Formula:C₂₁H₁₈O₁₁
Molecular Weight:446.367
Hs Code.:
ChEMBL ID:CHEMBL3527014
DSSTox Substance ID:DTXSID60579964
Metabolomics Workbench ID:49516
Nikkaji Number:J727.908F
Wikidata:Q27460582
Mol file:38482-81-4.mol

Synonyms:38482-81-4;Genistein 7-O-glucuronide;Genistein 7-|A-D-Glucuronide;genistein-7-o-glucuronide;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid;GENISTEIN 7-BETA-D-GLUCURONIDE;(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid;Genistein 7-?-D-Glucuronide;MEGxm0_000509;CHEMBL3527014;SCHEMBL13280116;ACon0_001348;ACon1_000168;DTXSID60579964;CHEBI:176131;AKOS027447852;5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid;NCGC00180816-01;HY-137967;CS-0143376;BRD-K23022982-001-01-2;Q27460582;(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylicacid;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid;G7G

Suppliers and Price of Genistein 7-O-glucuronide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Genistein7-β-D-Glucuronide
25mg
$ 1355.00

Total 10 raw suppliers

Chemical Property of Genistein 7-O-glucuronide

Chemical Property:

Melting Point:>228°C (dec.)
PSA：187.12000
LogP:0.14220
Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:446.08491139
Heavy Atom Count:32
Complexity:746

Purity/Quality:

99% ^*data from raw suppliers

Genistein7-β-D-Glucuronide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Isomeric SMILES:C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

Technology Process of Genistein 7-O-glucuronide

There total 8 articles about Genistein 7-O-glucuronide 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: 92.0%

: 918158-59-5
methyl (5,4'-di-O-hexanoylgenistein-7-yl β-D-2'',3'',4''-triacetylglucopyranosid)uronate

: 38482-81-4
Genistein O7-glucuronide

Guidance literature:: With potassium carbonate; In tetrahydrofuran; methanol; at 40 ℃;
DOI:10.1016/j.tetlet.2006.10.034

Reference yield:

: 1105697-83-3
methyl (5,4'-di-O-acetylgenistein-7-yl β-D-2'',3'',4''-triacetylglucopyranosid)uronate

: 38482-81-4
Genistein O7-glucuronide

Guidance literature:: With water; potassium carbonate; In tetrahydrofuran; methanol; at 20 ℃; for 5h; Inert atmosphere;
DOI:10.1002/ejoc.200800803

Reference yield:

: 918158-58-4
5,4'-di-O-hexanoyl-genistein

: 38482-81-4
Genistein O7-glucuronide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / BF₃*Et₂O; 4 Angstroem molecular sieves / CH₂Cl₂ / 20 °C

2: 92 percent / aq. K₂CO₃ / methanol; tetrahydrofuran / 40 °C

With 4 A molecular sieve; boron trifluoride diethyl etherate; potassium carbonate; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.tetlet.2006.10.034