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Carotenoids DB          Carotenoids DB: CA00740   
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Entry
CA00740                                                            
Classification
Carotenoid Name
Mytiloxanthinone
IUPAC name 3,8'-Dihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione
Formula
C40H52O4
Molecular Weight 
596.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.735
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.312
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
74.600 Å2
Reaction
  • Product: CR00151
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Styela clava  - Tunicate (Chordata - Styelidae)
    References

    CAS
    83746-66-1
    Links to other DB
    KNApSAcK: C00023062
    LipidBank: VCA0078
    MassBank: CA000083

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