Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00882   
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Entry
CA00882                                                            
Classification
Carotenoid Name
Apo-8'-capsorubinal
IUPAC name (3S,5R)-3-Hydroxy-6-oxo-8'-apo-kappa-caroten-8'-al
Formula
C30H40O3
Molecular Weight 
448.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone and one aldehyde (10 in total)
Number of
conjugated multiple bonds 
8 including one ketone and one aldehyde (8 in total)
Isomers 
  • Constitutional isomer: CA00028, CA00859, CA00837, CA00798, CA00855
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.927
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.068
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    54.370 Å2
    Reaction
  • Product: CR00419
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Capsicum annuum L. (Ref.380) - Land plant: green pepper (Streptophyta - Solanaceae)
    References
  • Ref.380: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2001), 49(3), 1601-1606., "Isolation of a Series of Apocarotenoids from the Fruits of the Red Paprika Capsicum annuum L.".
    • CAS
    336105-83-0
    Links to other DB
    KNApSAcK: C00022193

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