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Carotenoids DB          Carotenoids DB: CA00816   
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Entry
CA00816                                                            

Classification
Carotenoid Name
7,8-Didehydro-β-micropteroxanthin;
7,8-Didehydro-beta-micropteroxanthin
IUPAC name (3R)-7,8-Didehydro-11',12'-dihydro-10'-apo-beta-carotene-3,10'-diol
Formula
C27H38O2
Molecular Weight 
394.574 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
7
Isomers 
  • Constitutional isomer: CA00815
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.427
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.090
    Number of heavy atoms
    29
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Micropterus salmoides (Ref.226) - Bony fish: largemouth bass (Chordata - Centrarchidae)
    References
  • Ref.226: Yamashita Eiji, Matsuno Takao, Nippon Suisan Gakkaishi (1992), 58(12), 2277-82. "A series of new apocarotenoids from the black bass".
  • CAS
    148031-76-9
    Links to other DB
    KNApSAcK: C00023122

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