Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00814   
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Entry
CA00814                                                            
Classification
Carotenoid Name
Persicachrome
IUPAC name (3S,5R,8RS)-5,8-Epoxy-5,8-dihydro-12'-apo-beta-carotene-3,12'-diol
Formula
C25H36O3
Molecular Weight 
384.538 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 
5
Isomers 
  • Constitutional isomer: CA00813
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    3.258
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.141
    Number of heavy atoms
    28
    TPSA
    (Topological Polar Surface Area) 
    49.690 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Prunus salina (Ref.238) - Land plant: Rosaceae: prune (Streptophyta - Rosaceae)
    Prunus domestica (Ref.239) - Land plant: Rosaceae: prune (Streptophyta - Rosaceae)
    References
  • Ref.238: Gross, Jeana, Gartenbauwissenschaft (1984), 49(1), 18-21., "Carotenoid pigments in three plum cultivars".
  • Ref.239: Curl, A Laurence, Journal of Food Science (1963), 28, 623-6., "Carotenoids of Italian prunes".
    • CAS
    80931-31-3
    Links to other DB
    KNApSAcK: C00023131

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