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Carotenoids DB          Carotenoids DB: CA00514   
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Entry
CA00514                                                            
Classification
Carotenoid Name
Cotingin
IUPAC name 3,3'-Dimethoxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione
Formula
C42H52O4
Molecular Weight 
620.836 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including two ketones (15 in total)
Number of
conjugated multiple bonds 
15 including two ketones (15 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.782
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.306
Number of heavy atoms
46
TPSA
(Topological Polar Surface Area) 
52.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Xipholena punicea  - Bird: pompadour cotinga (Chordata - Cotingidae)
References

CAS
1356471-53-8
Links to other DB

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