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Entry
CA00480                                                            

Classification
Carotenoid Name
4'-Hydroxy-5',6'-dihydroechinenone
IUPAC name (4'S,5'S,6'S)-4'-Hydroxy-5',6'-dihydro-beta,beta-caroten-4-one
Formula
C40H56O2
Molecular Weight 
568.848 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
11.770
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.306
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
98509-02-5
Links to other DB
KNApSAcK: C00022982

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