Cas no 950910-16-4 (4''-methyloxy-Genistin)

4''-methyloxy-Genistin structure
4''-methyloxy-Genistin structure
Product Name:4''-methyloxy-Genistin
CAS No:950910-16-4
MF:C22H22O10
MW:446.404087543488
CID:1508792
PubChem ID:71621984
Update Time:2025-09-18

4''-methyloxy-Genistin Chemical and Physical Properties

Names and Identifiers

    • 4''-methyloxy-Genistin
    • Genistein 7-O-beta-D-glucoside-4''-O-methylate
    • 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • 7-[3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • 4-methyloxy-Genistin
    • 4',5-Dihydroxy-7-(4-O-methyl-beta-D-glucopyranosyloxy)isoflavone
    • 5-Hydroxy-3-(4-hydroxyphenyl)-7-[(4-O-methyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one (ACI)
    • D
    • PD125552
    • 7-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    • FS-10631
    • 7-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    • HY-N4129
    • DA-49733
    • 950910-16-4
    • AKOS030530148
    • 7-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • CS-0032154
    • MDL： MFCD28964210
    • Inchi： 1S/C22H22O10/c1-29-21-16(8-23)32-22(20(28)19(21)27)31-12-6-14(25)17-15(7-12)30-9-13(18(17)26)10-2-4-11(24)5-3-10/h2-7,9,16,19-25,27-28H,8H2,1H3
    • InChI Key： DQFZFJHZGAOITN-UHFFFAOYSA-N
    • SMILES： O1C(C(C(C(C1CO)OC)O)O)OC1=CC(=C2C(C(C3C=CC(=CC=3)O)=COC2=C1)=O)O

Computed Properties

  • Exact Mass: 446.12129689 g/mol
  • Monoisotopic Mass: 446.12129689 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 690
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 155
  • Molecular Weight: 446.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.60±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 765.7±60.0 °C at 760 mmHg
  • Flash Point: 269.4±26.4 °C
  • Solubility: Very slightly soluble (0.23 g/l) (25 o C),
  • Vapor Pressure: 0.0±2.7 mmHg at 25°C

4''-methyloxy-Genistin Security Information

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4''-methyloxy-Genistin Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Glucose ,  Sodium chloride ,  Dipotassium phosphate Solvents: Dimethylformamide ,  Water ;  6 d, pH 7.0, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Biotransformation of gallic acid by Beauveria sulfurescens ATCC 7159
Hsu, Feng-Lin; Yang, Li-Ming; Chang, Shwu-Fen; Wang, Li-Hsuan; Hsu, Chung-Yi; et al, Applied Microbiology and Biotechnology, 2007, 74(3), 659-666

Production Method 2

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ,  Water ;  7 d, 28 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 5
1.3 Solvents: Methanol
Reference
Microbial glycosylation of daidzein, genistein and Biochanin A: two new glucosides of Biochanin A
Sordon, Sandra ; Poplonski, Jaroslaw; Tronina, Tomasz; Huszcza, Ewa, Molecules, 2017, 22(1),

Production Method 3

Reaction Conditions
1.1 Solvents: Water ;  48 h, rt
Reference
cloning of Beauveria bassiana methylation transferase gene FkbM and its function for glycosyl compound methylation
, China, , ,

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