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Carotenoids DB          Carotenoids DB: CA00874   
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Entry
CA00874                                                            
Classification
Carotenoid Name
Cochloxanthin
IUPAC name 6-Hydroxy-3-oxo-8'-apo-epsilon,psi-caroten-8'-oic acid
Formula
C30H38O4
Molecular Weight 
462.604 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 2 including one carboxylic acid and one ketone (11 in total)
Number of
conjugated multiple bonds 
9 and 2 including one carboxylic acid and one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
6.007
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.083
Number of heavy atoms
34
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Cochlospermum tinctorium (Ref.376) - Land plant: Bixaceae (Streptophyta - Bixaceae)
Cochlospermum vitifolium (Ref.377) - Land plant: Bixaceae: buttercup tree; wild cotton; forest peach; rose imperial (Streptophyta - Bixaceae)
References
  • Ref.376: Zederkopff Ballin, Nicolai; Traore, Maminata; Tinto, Halidou; Sittie, Archibald; Molgaard, Per; Olsen, Carl Erik; Kharazmi, Arsalan; Christensen, Soren Brogger, Journal of Natural Products (2002), 65(9), 1325-1327., "Antiplasmodial compounds from Cochlospermum tinctorium".
  • Ref.377: Achenbach, Hans; Bluemm, Elmar; Waibel, Reiner, Tetrahedron Letters (1989), 30(23), 3059-60., "Vitixanthin and dihydrovitixanthin. New unusual 7'-apocarotenoic acids from Cochlospermum vitifolium".
    • CAS
    109792-17-8
    Links to other DB
    KNApSAcK: C00023118

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