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Carotenoids DB          Carotenoids DB: CA00528   
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Entry
CA00528                                                            
Classification
Carotenoid Name
Botryoxanthin B
IUPAC name Complex ketal derivative of beta,beta-Carotene-4,4'-dione
Formula
C74H110O3
Molecular Weight 
1047.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one ketone
Number of
conjugated multiple bonds 
12 including one ketone
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
23.105
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
2
Complexity of molecule
0.182
Number of heavy atoms
77
TPSA
(Topological Polar Surface Area) 
35.530 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Botryococcus braunii Kawaguchi-1 (Ref.301, Ref.302) - 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".
  • Ref.302: Okada, Shigeru; Tonegawa, Izumi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, Okada, Shigeru; Tonegawa, Izumi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, "Botryoxanthin B and α-botryoxanthin A from the green microalga Botryococcus braunii Kawaguchi-1".
    • CAS
    207594-88-5
    Links to other DB
    KNApSAcK: C00023047

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