Cudraflavone A

  • Identifiers

    CAS number
    96843-73-1

    Molecular formula
    C25H22O6

    SMILES
    CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 43.11%
    Spicy 37.44%
    Sweet 34.28%
    Herbal 29.11%
    Woody 26.79%
    Fruity 24.37%
    Odorless 23.97%
    Mint 23.91%
    Medicinal 22.33%
    Smoky 21.37%

     

    Flavor
    Bitter 95.0%
    Cedarleaf 19.49%
    Lovage 18.87%
    Parsley 18.85%
    Ripe apricot 17.92%
    Red fruit 17.74%
    Bland 17.38%
    Sweet-like 17.28%
    Nitrile 17.24%
    Very strong 17.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.41 (weak base)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1395°C

    Melting point expt.

    • 265 - 272 °C

    Flash point

    • 254.83 ˚C est.

  • Synonyms

    • cudraflavone A
    • 96843-73-1
    • 3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-propenyl)-6H,11H-5,12,14-trioxa-benzo[a]naphthacen-7-one
    • 7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
    • 3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-propenyl)-6H,11H-5,12,14-trioxa-benzo(a)naphthacen-7-one
    • 7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo(12.8.0.03,12.04,9.016,21)docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
    • RefChem:128739
    • Isocyclomorusin
    • CHEMBL230558
    • (-)-Cudraflavone A
    • SCHEMBL30637591
    • CHEBI:176046
    • DTXSID101319079
    • BDBM50217274
    • LMPK12110923
    • 3,8-Dihydroxy-11,11-dimethyl-6-(2-methylprop-1-en-1-yl)-6H,7H,11H-[1]benzopyrano[4,3-b]pyrano[3,2-g][1]benzopyran-7-one
    • 96843-73-1
  • Applications

    Cudraflavone A (CAS 96843-73-1) is commonly used as a reference material for analytical characterization of natural flavonoids and is evaluated for antioxidant activity in cosmetic and pharmaceutical research. It may serve as a starting point or intermediate in the synthesis of related flavonoids, supporting natural product discovery and development in industrial settings. It is also employed as a research reagent in academia and industry to aid method development, screening, and structure–activity relationship studies of flavonoid compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.44
    methanol 2.14
    isopropanol 1.05
    water 0.01
    ethyl acetate 6.14
    n-propanol 2.02
    acetone 10.08
    n-butanol 1.42
    acetonitrile 5.33
    DMF 53.15
    toluene 1.71
    isobutanol 1.57
    1,4-dioxane 15.61
    methyl acetate 10.94
    THF 29.97
    2-butanone 11.15
    n-pentanol 1.58
    sec-butanol 1.25
    n-hexane 0.03
    ethylene glycol 2.83
    NMP 98.91
    cyclohexane 0.07
    DMSO 54.33
    n-butyl acetate 8.31
    n-octanol 2.02
    chloroform 20.34
    n-propyl acetate 7.02
    acetic acid 20.36
    dichloromethane 15.56
    cyclohexanone 19.95
    propylene glycol 4.56
    isopropyl acetate 4.84
    DMAc 82.45
    2-ethoxyethanol 10.74
    isopentanol 1.53
    n-heptane 0.06
    ethyl formate 6.62
    1,2-dichloroethane 8.75
    n-hexanol 1.24
    2-methoxyethanol 20.44
    isobutyl acetate 6.36
    tetrachloromethane 0.74
    n-pentyl acetate 7.82
    transcutol 91.19
    n-heptanol 1.73
    ethylbenzene 0.81
    MIBK 4.7
    2-propoxyethanol 21.17
    tert-butanol 1.44
    MTBE 1.45
    2-butoxyethanol 13.22
    propionic acid 9.96
    o-xylene 1.08
    formic acid 8.97
    diethyl ether 1.15
    m-xylene 1.13
    p-xylene 1.55
    chlorobenzene 4.2
    dimethyl carbonate 15.45
    n-octane 0.04
    formamide 12.22
    cyclopentanone 39.01
    2-pentanone 6.17
    anisole 4.75
    cyclopentyl methyl ether 5.88
    gamma-butyrolactone 59.0
    1-methoxy-2-propanol 15.63
    pyridine 18.47
    3-pentanone 5.73
    furfural 46.35
    n-dodecane 0.08
    diethylene glycol 21.28
    diisopropyl ether 0.45
    tert-amyl alcohol 1.46
    acetylacetone 16.7
    n-hexadecane 0.1
    acetophenone 10.44
    methyl propionate 11.86
    isopentyl acetate 9.26
    trichloroethylene 38.52
    n-nonanol 2.34
    cyclohexanol 1.96
    benzyl alcohol 6.34
    2-ethylhexanol 1.39
    isooctanol 1.81
    dipropyl ether 2.1
    1,2-dichlorobenzene 5.06
    ethyl lactate 10.15
    propylene carbonate 23.45
    n-methylformamide 18.18
    2-pentanol 0.78
    n-pentane 0.03
    1-propoxy-2-propanol 16.1
    1-methoxy-2-propyl acetate 22.26
    2-(2-methoxypropoxy) propanol 25.91
    mesitylene 0.62
    ε-caprolactone 22.84
    p-cymene 1.15
    epichlorohydrin 55.42
    1,1,1-trichloroethane 5.95
    2-aminoethanol 4.1
    morpholine-4-carbaldehyde 79.73
    sulfolane 101.08
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 9.23
    n-hexyl acetate 9.23
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 28.98
    sec-butyl acetate 4.65
    tert-butyl acetate 6.02
    decalin 0.09
    glycerin 15.01
    diglyme 49.89
    acrylic acid 16.87
    isopropyl myristate 4.17
    n-butyric acid 8.46
    acetyl acetate 8.06
    di(2-ethylhexyl) phthalate 8.43
    ethyl propionate 6.38
    nitromethane 54.85
    1,2-diethoxyethane 11.75
    benzonitrile 8.58
    trioctyl phosphate 4.77
    1-bromopropane 1.8
    gamma-valerolactone 89.69
    n-decanol 1.71
    triethyl phosphate 6.49
    4-methyl-2-pentanol 0.84
    propionitrile 4.54
    vinylene carbonate 26.42
    1,1,2-trichlorotrifluoroethane 68.3
    DMS 21.42
    cumene 0.68
    2-octanol 1.14
    2-hexanone 6.47
    octyl acetate 5.7
    limonene 1.24
    1,2-dimethoxyethane 19.75
    ethyl orthosilicate 4.83
    tributyl phosphate 6.48
    diacetone alcohol 11.99
    N,N-dimethylaniline 4.0
    acrylonitrile 11.11
    aniline 4.91
    1,3-propanediol 5.02
    bromobenzene 3.85
    dibromomethane 5.55
    1,1,2,2-tetrachloroethane 28.39
    2-methyl-cyclohexyl acetate 8.6
    tetrabutyl urea 10.3
    diisobutyl methanol 1.23
    2-phenylethanol 6.84
    styrene 1.16
    dioctyl adipate 10.35
    dimethyl sulfate 38.33
    ethyl butyrate 7.03
    methyl lactate 20.54
    butyl lactate 12.9
    diethyl carbonate 6.02
    propanediol butyl ether 16.65
    triethyl orthoformate 7.39
    p-tert-butyltoluene 1.1
    methyl 4-tert-butylbenzoate 15.2
    morpholine 20.67
    tert-butylamine 0.46
    n-dodecanol 1.27
    dimethoxymethane 22.06
    ethylene carbonate 17.24
    cyrene 31.0
    2-ethoxyethyl acetate 19.92
    2-ethylhexyl acetate 7.03
    1,2,4-trichlorobenzene 11.4
    4-methylpyridine 13.19
    dibutyl ether 2.58
    2,6-dimethyl-4-heptanol 1.23
    DEF 13.16
    dimethyl isosorbide 49.45
    tetrachloroethylene 10.19
    eugenol 16.42
    triacetin 26.25
    span 80 17.47
    1,4-butanediol 2.29
    1,1-dichloroethane 5.41
    2-methyl-1-pentanol 1.69
    methyl formate 18.65
    2-methyl-1-butanol 1.57
    n-decane 0.11
    butyronitrile 3.05
    3,7-dimethyl-1-octanol 2.41
    1-chlorooctane 0.82
    1-chlorotetradecane 0.45
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.08
    cyclooctane 0.03
    cyclopentanol 3.92
    tetrahydropyran 5.39
    tert-amyl methyl ether 1.56
    2,5,8-trioxanonane 38.64
    1-hexene 0.24
    2-isopropoxyethanol 8.11
    2,2,2-trifluoroethanol 8.35
    methyl butyrate 8.78

    Scent© AI

1 of 4
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