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Entry
CA00530                                                            
Classification
Carotenoid Name
Braunixanthin 2
IUPAC name Complex ketal derivative of beta,beta-caroten-4-one
Formula
C112H180O8
Molecular Weight 
1654.56 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 and 3 including one ketone (15 in total)
Number of
conjugated multiple bonds 
12 and 3 including one ketone (15 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
38.262
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
8
LipinskiFailures
2
Complexity of molecule
0.223
Number of heavy atoms
120
TPSA
(Topological Polar Surface Area) 
103.680 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Botryococcus braunii Kawaguchi-1 (Ref.301) - Green alga: Trebouxiophyceae (Chlorophyta - Botryococcaceae)
References
  • Ref.301: Tonegawa, Izumi; Okada, Shigeru; Murakami, Masahiro; Yamaguchi, Katsumi, Fisheries Science (1998), 64(2), 305-308., "Pigment composition of the green microalga Botryococcus braunii Kawaguchi-1".
    • CAS
    196207-43-9
    Links to other DB

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