Mahanimbine

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  • Identifiers

    CAS number
    21104-28-9

    Molecular formula
    C23H25NO

    SMILES
    CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 70.14%
    Floral 53.48%
    Sweet 30.74%
    Neroli 30.65%
    Musk 30.18%
    Raspberry 28.89%
    Animal 28.74%
    Berry 27.64%
    Powdery 26.72%
    Fresh 24.99%

     

    Flavor
    Bitter 61.24%
    Parsley 19.82%
    Cedarleaf 19.59%
    Lovage 19.53%
    Heather 19.19%
    Very strong 18.87%
    Indole 18.82%
    Wood 18.78%
    Broom 18.76%
    Ripe apricot 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    8.32 (weak base)

    Molecular weight
    331.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    637°C

    Melting point expt.

    • 94 - 95 °C

    Flash point

    • 217.87 ˚C est.

  • Synonyms

    • Mahanimbine
    • 21104-28-9
    • 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
    • DTXSID601035072
    • 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano(3,2-a)carbazole
    • RefChem:800715
    • DTXCID501519536
    • (+)-Mahanimbine
    • CHEBI:6646
    • 3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazole
    • NSC186884
    • Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-
    • (+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole
    • 24948-14-9
    • Mahanimbin
    • (+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano(3,2-a)carbazole
    • Rel-(+)-Mahanimbine
    • C09220
    • CHEMBL495873
    • MEGxp0_002025
    • SCHEMBL2991765
    • Mahanimbine, analytical standard
    • ACon1_002475
    • BDBM50207385
    • FS-7575
    • NSC-186884
    • NCGC00160181-01
    • NCGC00160181-02
    • NCGC00160181-03
    • DA-75252
    • FD137460
    • AK-693/40962734
    • Q27107290
    • (+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)pyrano[3,2-a]carbazole
    • 3,5-Dimethyl-3-(4-methyl-pent-3-enyl)-3,11-dihydro-4-oxa-11-aza-benzo[a]fluorene
    • Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-
    • 5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaene
    • 21104-28-9

  • Applications

    Mahanimbine (CAS 21104-28-9), a natural alkaloid isolated from the curry leaf tree (Murraya koenigii), is primarily considered in natural products chemistry and medicinal chemistry as a potential lead compound for drug development; it is also explored as a scaffold for the synthesis and optimization of bioactive analogs. Industrial applications include use as an analytical reference material for natural extracts or plant-derived formulations; a structural framework for synthesizing new analogs in medicinal chemistry; and support for research and development workflows in life sciences, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.16
    methanol 5.39
    isopropanol 8.11
    water 0.01
    ethyl acetate 63.13
    n-propanol 14.63
    acetone 42.53
    n-butanol 19.19
    acetonitrile 5.96
    DMF 46.04
    toluene 66.92
    isobutanol 14.83
    1,4-dioxane 107.21
    methyl acetate 52.17
    THF 201.13
    2-butanone 76.14
    n-pentanol 26.46
    sec-butanol 14.68
    n-hexane 6.39
    ethylene glycol 1.0
    NMP 71.89
    cyclohexane 7.25
    DMSO 24.97
    n-butyl acetate 106.3
    n-octanol 30.79
    chloroform 170.45
    n-propyl acetate 80.69
    acetic acid 13.57
    dichloromethane 167.32
    cyclohexanone 123.36
    propylene glycol 2.25
    isopropyl acetate 61.77
    DMAc 133.26
    2-ethoxyethanol 37.76
    isopentanol 26.28
    n-heptane 6.11
    ethyl formate 20.09
    1,2-dichloroethane 85.23
    n-hexanol 40.62
    2-methoxyethanol 25.79
    isobutyl acetate 101.16
    tetrachloromethane 14.3
    n-pentyl acetate 109.24
    transcutol 216.59
    n-heptanol 30.1
    ethylbenzene 45.72
    MIBK 62.33
    2-propoxyethanol 79.36
    tert-butanol 11.94
    MTBE 49.99
    2-butoxyethanol 61.57
    propionic acid 14.33
    o-xylene 35.43
    formic acid 2.35
    diethyl ether 51.43
    m-xylene 41.98
    p-xylene 62.84
    chlorobenzene 65.69
    dimethyl carbonate 27.42
    n-octane 4.3
    formamide 3.96
    cyclopentanone 119.64
    2-pentanone 68.89
    anisole 82.53
    cyclopentyl methyl ether 89.01
    gamma-butyrolactone 96.59
    1-methoxy-2-propanol 26.87
    pyridine 100.77
    3-pentanone 68.85
    furfural 73.01
    n-dodecane 4.56
    diethylene glycol 26.35
    diisopropyl ether 24.18
    tert-amyl alcohol 20.07
    acetylacetone 77.4
    n-hexadecane 5.47
    acetophenone 85.69
    methyl propionate 55.36
    isopentyl acetate 126.81
    trichloroethylene 196.55
    n-nonanol 36.03
    cyclohexanol 26.11
    benzyl alcohol 45.43
    2-ethylhexanol 43.59
    isooctanol 32.91
    dipropyl ether 56.1
    1,2-dichlorobenzene 61.17
    ethyl lactate 26.68
    propylene carbonate 63.48
    n-methylformamide 9.81
    2-pentanol 15.96
    n-pentane 3.97
    1-propoxy-2-propanol 57.95
    1-methoxy-2-propyl acetate 118.35
    2-(2-methoxypropoxy) propanol 86.1
    mesitylene 23.69
    ε-caprolactone 124.94
    p-cymene 31.44
    epichlorohydrin 149.18
    1,1,1-trichloroethane 70.51
    2-aminoethanol 3.38
    morpholine-4-carbaldehyde 112.53
    sulfolane 79.54
    2,2,4-trimethylpentane 5.01
    2-methyltetrahydrofuran 128.39
    n-hexyl acetate 126.8
    isooctane 3.37
    2-(2-butoxyethoxy)ethanol 104.68
    sec-butyl acetate 81.59
    tert-butyl acetate 66.54
    decalin 9.67
    glycerin 4.33
    diglyme 167.39
    acrylic acid 11.12
    isopropyl myristate 57.48
    n-butyric acid 32.0
    acetyl acetate 43.9
    di(2-ethylhexyl) phthalate 62.53
    ethyl propionate 66.57
    nitromethane 22.89
    1,2-diethoxyethane 128.73
    benzonitrile 41.36
    trioctyl phosphate 38.19
    1-bromopropane 62.59
    gamma-valerolactone 169.54
    n-decanol 27.43
    triethyl phosphate 48.53
    4-methyl-2-pentanol 18.37
    propionitrile 12.63
    vinylene carbonate 58.18
    1,1,2-trichlorotrifluoroethane 60.22
    DMS 103.92
    cumene 35.51
    2-octanol 24.51
    2-hexanone 90.88
    octyl acetate 68.59
    limonene 37.68
    1,2-dimethoxyethane 101.77
    ethyl orthosilicate 52.87
    tributyl phosphate 47.74
    diacetone alcohol 44.66
    N,N-dimethylaniline 63.66
    acrylonitrile 12.83
    aniline 38.26
    1,3-propanediol 8.88
    bromobenzene 86.46
    dibromomethane 101.53
    1,1,2,2-tetrachloroethane 134.9
    2-methyl-cyclohexyl acetate 97.17
    tetrabutyl urea 67.34
    diisobutyl methanol 24.72
    2-phenylethanol 68.87
    styrene 49.77
    dioctyl adipate 84.83
    dimethyl sulfate 36.13
    ethyl butyrate 78.63
    methyl lactate 17.36
    butyl lactate 56.01
    diethyl carbonate 51.88
    propanediol butyl ether 42.02
    triethyl orthoformate 71.51
    p-tert-butyltoluene 27.34
    methyl 4-tert-butylbenzoate 81.66
    morpholine 102.62
    tert-butylamine 8.8
    n-dodecanol 21.53
    dimethoxymethane 65.24
    ethylene carbonate 50.82
    cyrene 69.55
    2-ethoxyethyl acetate 154.02
    2-ethylhexyl acetate 119.3
    1,2,4-trichlorobenzene 82.23
    4-methylpyridine 99.58
    dibutyl ether 64.5
    2,6-dimethyl-4-heptanol 24.72
    DEF 70.59
    dimethyl isosorbide 148.77
    tetrachloroethylene 81.85
    eugenol 72.6
    triacetin 115.34
    span 80 66.74
    1,4-butanediol 5.81
    1,1-dichloroethane 63.52
    2-methyl-1-pentanol 43.46
    methyl formate 10.12
    2-methyl-1-butanol 28.06
    n-decane 7.81
    butyronitrile 18.9
    3,7-dimethyl-1-octanol 37.31
    1-chlorooctane 32.94
    1-chlorotetradecane 15.46
    n-nonane 6.36
    undecane 5.77
    tert-butylcyclohexane 8.99
    cyclooctane 3.78
    cyclopentanol 21.02
    tetrahydropyran 111.71
    tert-amyl methyl ether 49.09
    2,5,8-trioxanonane 126.67
    1-hexene 29.67
    2-isopropoxyethanol 49.6
    2,2,2-trifluoroethanol 5.53
    methyl butyrate 78.32

    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