Genistein 7-O-glucuronide

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  • Identifiers

    CAS number
    38482-81-4

    Molecular formula
    C21H18O11

    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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.69%
    Phenolic 32.34%
    Vanilla 23.84%
    Bitter 22.67%
    Savory 21.11%
    Burnt 20.39%
    Milky 19.5%
    Sweet 19.09%
    Balsamic 18.85%
    Spicy 17.38%

     

    Flavor
    Bitter 86.47%
    Odorless 37.17%
    Bland 30.94%
    Sweet-like 24.16%
    Very mild 20.23%
    Cedarleaf 20.22%
    Lovage 19.68%
    Parsley 19.31%
    Nitrile 19.29%
    Mild 19.07%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.05 (neutral)

    Molecular weight
    446.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2340°C

    Flash point

    • 306.08 ˚C est.

  • Synonyms

    • 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
    • (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
    • (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
    • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxyoxane-2-carboxylic acid
    • RefChem:1085746
    • 38482-81-4
    • Genistein 7-|A-D-Glucuronide
    • GENISTEIN 7-BETA-D-GLUCURONIDE
    • genistein-7-o-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-b-D-Glucuronide
    • Genistein 7--D-Glucuronide
    • Genistein 7-?-D-Glucuronide
    • MEGxm0_000509
    • orb1682506
    • CHEMBL3527014
    • SCHEMBL13280116
    • SCHEMBL30851577
    • 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
    • G7G
    • 38482-81-4

  • Applications

    Genistein 7-O-glucuronide (CAS 38482-81-4) is primarily used in research settings as an analytical and pharmacokinetic tool: it serves as a reference standard for LC-MS/MS and HPLC methods developed to quantify this metabolite in biological samples; in vitro studies use it as a substrate context for UGT-mediated glucuronidation and related enzyme assays to characterize metabolism of genistein; it supports pharmacokinetic and metabolism research on soy isoflavones, including studies of disposition and enterohepatic circulation; it enables dietary exposure biomarker work by measuring glucuronide metabolites in urine or plasma; and it provides a reference material for quality control and method validation in pharmaceutical and nutraceutical research related to soy isoflavones.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.34
    methanol 0.83
    isopropanol 0.25
    water 0.02
    ethyl acetate 0.02
    n-propanol 0.69
    acetone 0.55
    n-butanol 0.2
    acetonitrile 0.02
    DMF 8.63
    toluene 0.01
    isobutanol 0.17
    1,4-dioxane 0.49
    methyl acetate 0.07
    THF 1.35
    2-butanone 0.42
    n-pentanol 0.1
    sec-butanol 0.32
    n-hexane 0.0
    ethylene glycol 4.4
    NMP 8.94
    cyclohexane 0.0
    DMSO 38.88
    n-butyl acetate 0.02
    n-octanol 0.07
    chloroform 0.0
    n-propyl acetate 0.02
    acetic acid 1.15
    dichloromethane 0.0
    cyclohexanone 0.38
    propylene glycol 5.67
    isopropyl acetate 0.02
    DMAc 10.19
    2-ethoxyethanol 3.59
    isopentanol 0.1
    n-heptane 0.0
    ethyl formate 0.05
    1,2-dichloroethane 0.01
    n-hexanol 0.05
    2-methoxyethanol 14.3
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.03
    transcutol 3.84
    n-heptanol 0.09
    ethylbenzene 0.0
    MIBK 0.05
    2-propoxyethanol 1.67
    tert-butanol 0.17
    MTBE 0.04
    2-butoxyethanol 1.18
    propionic acid 0.41
    o-xylene 0.01
    formic acid 4.42
    diethyl ether 0.05
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 4.89
    cyclopentanone 1.01
    2-pentanone 0.14
    anisole 0.02
    cyclopentyl methyl ether 0.13
    gamma-butyrolactone 0.7
    1-methoxy-2-propanol 5.74
    pyridine 0.18
    3-pentanone 0.1
    furfural 0.67
    n-dodecane 0.0
    diethylene glycol 4.37
    diisopropyl ether 0.01
    tert-amyl alcohol 0.2
    acetylacetone 0.18
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.1
    isopentyl acetate 0.02
    trichloroethylene 0.01
    n-nonanol 0.08
    cyclohexanol 0.14
    benzyl alcohol 0.07
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.16
    propylene carbonate 0.07
    n-methylformamide 2.47
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 0.78
    1-methoxy-2-propyl acetate 0.12
    2-(2-methoxypropoxy) propanol 1.15
    mesitylene 0.0
    ε-caprolactone 0.26
    p-cymene 0.0
    epichlorohydrin 0.3
    1,1,1-trichloroethane 0.0
    2-aminoethanol 5.8
    morpholine-4-carbaldehyde 6.87
    sulfolane 4.93
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.23
    n-hexyl acetate 0.05
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.0
    sec-butyl acetate 0.01
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 21.0
    diglyme 3.08
    acrylic acid 0.71
    isopropyl myristate 0.02
    n-butyric acid 0.15
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.04
    ethyl propionate 0.02
    nitromethane 1.13
    1,2-diethoxyethane 0.12
    benzonitrile 0.01
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 4.96
    n-decanol 0.05
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.03
    propionitrile 0.03
    vinylene carbonate 0.06
    1,1,2-trichlorotrifluoroethane 1.44
    DMS 0.04
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.07
    octyl acetate 0.04
    limonene 0.01
    1,2-dimethoxyethane 1.78
    ethyl orthosilicate 0.03
    tributyl phosphate 0.03
    diacetone alcohol 0.52
    N,N-dimethylaniline 0.03
    acrylonitrile 0.07
    aniline 0.04
    1,3-propanediol 3.41
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.11
    diisobutyl methanol 0.02
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.05
    dimethyl sulfate 0.39
    ethyl butyrate 0.02
    methyl lactate 0.9
    butyl lactate 0.19
    diethyl carbonate 0.01
    propanediol butyl ether 1.61
    triethyl orthoformate 0.05
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.17
    morpholine 1.56
    tert-butylamine 0.03
    n-dodecanol 0.03
    dimethoxymethane 1.55
    ethylene carbonate 0.04
    cyrene 1.65
    2-ethoxyethyl acetate 0.09
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.06
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.3
    dimethyl isosorbide 1.02
    tetrachloroethylene 0.01
    eugenol 0.28
    triacetin 0.12
    span 80 0.73
    1,4-butanediol 0.87
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.06
    methyl formate 0.83
    2-methyl-1-butanol 0.15
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.39
    tetrahydropyran 0.2
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 2.31
    1-hexene 0.01
    2-isopropoxyethanol 0.71
    2,2,2-trifluoroethanol 0.31
    methyl butyrate 0.04

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction