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Carotenoids DB          Carotenoids DB: CA00738   
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Entry
CA00738                                                            
Classification
Carotenoid Name
Capsanthone
IUPAC name (3R,5'R)-3-Hydroxy-beta,kappa-carotene-3',6'-dione
Formula
C40H54O3
Molecular Weight 
582.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.483
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
2
Complexity of molecule
0.309
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
54.370 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Capsicum annuum (Ref.447) - Land plant: red pepper (Streptophyta - Solanaceae)
Aesculus rubicunda  - Land plant: horse chestnut (Streptophyta - Hippocastanaceae)
References
  • Ref.447: Cholnoky, L.; Szabolcs, J., Acta Chimica Academiae Scientiarum Hungaricae (1960), 22, 117-19., "Structure of the coloring matter of paprika".
    • CAS
    28368-01-6
    Links to other DB
    KNApSAcK: C00023053
    MassBank: CA000019

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