Kuwanon G

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  • Identifiers

    CAS number
    75629-19-5

    Molecular formula
    C40H36O11

    SMILES
    CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.48%
    Phenolic 46.43%
    Spicy 32.29%
    Burnt 23.56%
    Medicinal 22.85%
    Smoky 22.11%
    Bitter 21.75%
    Balsamic 21.75%
    Woody 20.14%
    Animal 19.27%

     

    Flavor
    Bitter 96.91%
    Odorless 25.83%
    Bland 21.53%
    Cedarleaf 20.23%
    Sweet-like 19.52%
    Lovage 19.03%
    Nitrile 18.98%
    Parsley 18.56%
    Very strong 18.32%
    Indole 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    11.41 (strong base)

    Molecular weight
    692.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4959°C

    Flash point

    • 331.01 ˚C est.

  • Synonyms

    • Kuwanon G
    • 75629-19-5
    • Kuwanone G
    • GQ6QVK8YZM
    • CHEBI:6146
    • DTXSID40226540
    • NSC-356888
    • 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • 8-((1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • RefChem:924292
    • DTXCID70149031
    • moracenin b
    • KuwanonG
    • kumanon G
    • 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • MFCD05662262
    • Kuwanon
    • 4H-1-Benzopyran-4-one, 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-
    • 8-[(1S,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • Kuwanon G (Standard)
    • UNII-GQ6QVK8YZM
    • CHEMBL444942
    • orb1303383
    • SCHEMBL20211451
    • SCHEMBL29425236
    • SCHEMBL29998764
    • HY-N4247R
    • HY-N4247
    • BDBM50540963
    • MSK157267
    • AKOS030573630
    • EBC-616310
    • FK30428
    • NSC 356888
    • 8-[(1S,5R,6S)-6-(2,4-DIHYDROXYBENZOYL)-5-(2,4-DIHYDROXYPHENYL)-3-METHYLCYCLOHEX-2-EN-1-YL]-2-(2,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(3-METHYLBUT-2-EN-1-YL)-4H-CHROMEN-4-ONE
    • AC-34789
    • DA-54709
    • MS-31140
    • CS-0032528
    • Q15634181
    • 4H-1-Benzopyran-4-one, 8-(6-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1S-(1alpha,5alpha,6beta))-
    • 4H-1-Benzopyran-4-one, 8-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-
    • 4H-1-Benzopyran-4-one, 8-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, [1S-(1alpha,5alpha,6beta)]-
    • 8-((1R,2S,3S)-2-(2,4-dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 8-[(1R,2S,3S)-2-(2,4-Dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-3-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 8-[(1R,2S,3S)-2-(2,4-dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl[1,2,3,6-tetrahydro[1,1'-biphenyl]]-3-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 8-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 75629-19-5

  • Applications

    Kuwanon G (CAS 75629-19-5) is a natural polyphenolic flavonoid studied for antioxidant activity and certain bioactivities. Real-world applications under evaluation include: in cosmetics/personal care as an antioxidant and stabilizer for formulations; in polymers and paints/coatings as an antioxidant and stabilizer to improve material durability; in household cleaning products with antimicrobial potential and product protection; in pharmaceutical research as a bioactive lead or precursor for more complex molecules; in agriculture for potential bioactivity in crop-protection formulations, subject to regulatory requirements; and in chemical synthesis as an intermediate for the preparation of more complex flavonoid/phloroglucinol derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.69
    methanol 2.15
    isopropanol 0.27
    water 0.0
    ethyl acetate 0.14
    n-propanol 0.68
    acetone 0.66
    n-butanol 0.27
    acetonitrile 0.16
    DMF 14.53
    toluene 0.05
    isobutanol 0.24
    1,4-dioxane 1.97
    methyl acetate 0.48
    THF 5.24
    2-butanone 0.93
    n-pentanol 0.25
    sec-butanol 0.28
    n-hexane 0.0
    ethylene glycol 1.51
    NMP 16.6
    cyclohexane 0.0
    DMSO 13.19
    n-butyl acetate 0.17
    n-octanol 0.11
    chloroform 0.18
    n-propyl acetate 0.19
    acetic acid 2.87
    dichloromethane 0.18
    cyclohexanone 0.96
    propylene glycol 4.05
    isopropyl acetate 0.09
    DMAc 12.71
    2-ethoxyethanol 3.35
    isopentanol 0.12
    n-heptane 0.01
    ethyl formate 0.35
    1,2-dichloroethane 0.15
    n-hexanol 0.1
    2-methoxyethanol 8.7
    isobutyl acetate 0.09
    tetrachloromethane 0.01
    n-pentyl acetate 0.23
    transcutol 7.92
    n-heptanol 0.13
    ethylbenzene 0.02
    MIBK 0.12
    2-propoxyethanol 3.11
    tert-butanol 0.14
    MTBE 0.09
    2-butoxyethanol 1.79
    propionic acid 1.05
    o-xylene 0.03
    formic acid 3.84
    diethyl ether 0.12
    m-xylene 0.02
    p-xylene 0.03
    chlorobenzene 0.04
    dimethyl carbonate 0.55
    n-octane 0.0
    formamide 3.37
    cyclopentanone 3.1
    2-pentanone 0.34
    anisole 0.16
    cyclopentyl methyl ether 0.32
    gamma-butyrolactone 3.98
    1-methoxy-2-propanol 5.0
    pyridine 1.27
    3-pentanone 0.26
    furfural 3.78
    n-dodecane 0.0
    diethylene glycol 4.06
    diisopropyl ether 0.01
    tert-amyl alcohol 0.18
    acetylacetone 0.58
    n-hexadecane 0.0
    acetophenone 0.26
    methyl propionate 0.48
    isopentyl acetate 0.13
    trichloroethylene 0.46
    n-nonanol 0.12
    cyclohexanol 0.13
    benzyl alcohol 0.35
    2-ethylhexanol 0.05
    isooctanol 0.08
    dipropyl ether 0.16
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.55
    propylene carbonate 0.6
    n-methylformamide 4.69
    2-pentanol 0.09
    n-pentane 0.0
    1-propoxy-2-propanol 1.87
    1-methoxy-2-propyl acetate 0.68
    2-(2-methoxypropoxy) propanol 2.08
    mesitylene 0.01
    ε-caprolactone 0.98
    p-cymene 0.02
    epichlorohydrin 3.2
    1,1,1-trichloroethane 0.03
    2-aminoethanol 2.37
    morpholine-4-carbaldehyde 14.61
    sulfolane 11.4
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.7
    n-hexyl acetate 0.26
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.65
    sec-butyl acetate 0.08
    tert-butyl acetate 0.13
    decalin 0.0
    glycerin 11.3
    diglyme 4.57
    acrylic acid 2.01
    isopropyl myristate 0.07
    n-butyric acid 0.5
    acetyl acetate 0.09
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.15
    nitromethane 4.16
    1,2-diethoxyethane 0.64
    benzonitrile 0.14
    trioctyl phosphate 0.11
    1-bromopropane 0.05
    gamma-valerolactone 12.63
    n-decanol 0.07
    triethyl phosphate 0.1
    4-methyl-2-pentanol 0.04
    propionitrile 0.18
    vinylene carbonate 0.7
    1,1,2-trichlorotrifluoroethane 7.99
    DMS 0.35
    cumene 0.01
    2-octanol 0.06
    2-hexanone 0.31
    octyl acetate 0.14
    limonene 0.02
    1,2-dimethoxyethane 3.56
    ethyl orthosilicate 0.09
    tributyl phosphate 0.12
    diacetone alcohol 0.81
    N,N-dimethylaniline 0.13
    acrylonitrile 0.49
    aniline 0.17
    1,3-propanediol 1.75
    bromobenzene 0.02
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.41
    2-methyl-cyclohexyl acetate 0.14
    tetrabutyl urea 0.3
    diisobutyl methanol 0.03
    2-phenylethanol 0.19
    styrene 0.03
    dioctyl adipate 0.21
    dimethyl sulfate 1.66
    ethyl butyrate 0.14
    methyl lactate 2.01
    butyl lactate 0.74
    diethyl carbonate 0.08
    propanediol butyl ether 3.39
    triethyl orthoformate 0.2
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.48
    morpholine 3.76
    tert-butylamine 0.03
    n-dodecanol 0.05
    dimethoxymethane 3.33
    ethylene carbonate 0.37
    cyrene 3.85
    2-ethoxyethyl acetate 0.75
    2-ethylhexyl acetate 0.09
    1,2,4-trichlorobenzene 0.08
    4-methylpyridine 0.48
    dibutyl ether 0.1
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.84
    dimethyl isosorbide 3.19
    tetrachloroethylene 0.18
    eugenol 0.77
    triacetin 0.68
    span 80 1.68
    1,4-butanediol 0.65
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.13
    methyl formate 2.82
    2-methyl-1-butanol 0.17
    n-decane 0.0
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.41
    tetrahydropyran 0.51
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 2.93
    1-hexene 0.02
    2-isopropoxyethanol 1.11
    2,2,2-trifluoroethanol 0.68
    methyl butyrate 0.28

    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