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Carotenoids DB          Carotenoids DB: CA00742   
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Entry
CA00742                                                            
Classification
Carotenoid Name
4-Ketocapsanthin
IUPAC name 3,3'-Dihydroxy-beta,kappa-carotene-4,6'-dione
Formula
C40H54O4
Molecular Weight 
598.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including two ketones (12 in total)
Number of
conjugated multiple bonds 
12 including two ketones (12 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.458
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.306
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Capsicum annuum spp.  - Land plant: paprika (Streptophyta - Solanaceae)
References

CAS
50439-72-0
Links to other DB
LipidBank: VCA0080

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