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Entry
CA00415                                                            

Classification
Carotenoid Name
Neochrome;
Trollichrome: Trollichrom;
Neochrome b;
all-trans-Neochrome;
all-trans-Trollichrome
IUPAC name (3S,5R,6R,3'S,5'R,8'RS)-5',8'-Epoxy-6,7-didehydro-5,6,5',8'-tetrahydro-beta,beta-carotene-3,5,3'-triol
Formula
C40H56O4
Molecular Weight 
600.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
8
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.065
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.310
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
69.920 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Chlorella pyrenoidosa (Ref.21) - Green alga: Trebouxiophyceae (Chlorophyta - Chlorellaceae)
Ascophyllum nodosum (Ref.53) - Brown alga: Fucaceae ((Phaeophyceae) - Fucaceae)
Fucus serratus (Ref.53) - Brown alga: Fucaceae ((Phaeophyceae) - Fucaceae)
Fucus vesiculosus (Ref.53) - Brown alga: Fucaceae ((Phaeophyceae) - Fucaceae)
Laminaria digitata (Ref.53) - Brown alga: Laminariaceae ((Phaeophyceae) - Laminariaceae)
Camellia sinensis (Ref.215) - Land plant: tea, black tea, Camellia sinensis L. (Streptophyta - Theaceae)
References
  • Ref.21: B. Stephen Inbaraj, J.T. Chien, B. H. Chen. (2005); "Improved high performance liquid chromatographic method for determination of carotenoids in the microalga Chlorella pyrenoidosa".
  • Ref.53: G. Nybraaten, and S. L. Jensen, Acta Chem. Scand. Ser. B, 28,(1974), 485, "Algal Carotenoids. XII. * Chemical Reactions of Carotenoids with 2-Hydroxylated beta-Rings".
  • Ref.215: Taylor, Sarah; Baker, David; Owuor, Philip; Orchard, John; Othieno, Caleb; Gay, Clifton, Taylor, Sarah; Baker, David; Owuor, Philip; Orchard, John; Othieno, Caleb; Gay, Clifton, "A model for predicting black tea quality from the carotenoid and chlorophyll composition of fresh green tea leaf".
  • CAS
    25548-02-1
    Links to other DB

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