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Carotenoids DB          Carotenoids DB: CA00469   
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Entry
CA00469                                                            
Classification
Carotenoid Name
Eschscholtzxanthone
IUPAC name (3'S)-3'-Hydroxy-4',5'-didehydro-4,5'-retro-beta,beta-caroten-3-one
Formula
C40H52O2
Molecular Weight 
564.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.039
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.319
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
37.300 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms

References

CAS
3484-59-1
Links to other DB
KNApSAcK: C00023043
LipidBank: VCA0042

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