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Carotenoids DB          Carotenoids DB: CA01073   
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Entry
CA01073                                                            
Classification
Carotenoid Name
Heteranthin
IUPAC name Methyl-3-oxo-12'-apo-epsilon,psi-caroten-12'-oate
Formula
C26H34O3
Molecular Weight 
394.532 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Antioxidant activity comparable to astaxanthin (Ref.477).
  • Antiradical activity (Ref.477).
  • Yellow color - absorption maxima at 237, 283, 323, 359, and 405nm (Ref.477).
    • Number of
    conjugated double bonds 
    7 including one ketone and one carboxylic acid methyl ester (7 in total)
    Number of
    conjugated multiple bonds 
    7 including one ketone and one carboxylic acid methyl ester (7 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.505
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.095
    Number of heavy atoms
    29
    TPSA
    (Topological Polar Surface Area) 
    43.370 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Ditaxis heterantha (Ref.477) - Land plant: azafrán, azafrancillo (Streptophyta - Euphorbiaceae)
    References
  • Ref.477: Marıa D. Mendez-Robles, Herry H. Permady, Marıa E. Jaramillo-Flores, Eugenia C. Lugo-Cervantes, Anaberta Cardador-Martınez, Alejandro A. Canales-Aguirre, Fernando Lopez-Dellamary, Carlos M. Cerda-Garcı´a-Rojas, and Joaquın Tamariz, J. Nat. Prod. 2006, 69, 1140-1144, "C-26 and C-30 Apocarotenoids from Seeds of Ditaxis heterantha with Antioxidant Activity and Protection against DNA Oxidative Damage".
    • CAS

    Links to other DB
    KNApSAcK: C00041588

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