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Entry
CA00783                                                            
Classification
Carotenoid Name
Trikentriorhodin;
Trikentriophidin
IUPAC name (3S,5R)-3,8-Dihydroxy-kappa,chi-caroten-6-one
Formula
C40H52O3
Molecular Weight 
580.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
12.748
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
2
Complexity of molecule
0.316
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
57.530 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Agelas schmidtii (Ref.99, Ref.369) - Sea sponge (Porifera - Agelasidae)
Agelas mauritiana (Ref.98) - Sea sponge (Porifera - Agelasidae)
Suberites sericeus (Ref.97) - Sea sponge (Porifera - Suberitidae)
Haliclona permollis (Ref.98) - Sea sponge (Porifera - Chalinidae)
Clathria frondifera (Ref.98) - Sea sponge (Porifera - Microcionidae)
Tedania digitata (Ref.98) - Sea sponge (Porifera - Tedaniidae)
Microciona prolifera (Ref.372) - Sea sponge (Porifera - Microcionidae)
References
  • Ref.98: Tanaka, Yoshito; Soejima, Takumi; Katayama, Teruhisa, Nippon Suisan Gakkaishi (1978), 44(11), 1283-5., "Biochemical studies of the carotenoids in porifera. Distribution of the carotenoids in porifera".
  • Ref.99: Buchecker, Richard; Eugster, Conrad Hans; Litchfield, Carter, Helvetica Chimica Acta (1977), 60(8), 2780-8., "Carotenoids from marine sponges (Porifera)​: isolation and structure of the seven main carotenoids from Agelas schmidtii".
  • Ref.369: Buchecker, Richard; Eugster, Conrad Hans; Litchfield, Carter, Helvetica Chimica Acta, Volume60, Issue8, Pages2780-8, 1977, ISSN:0018-019X, "Carotenoids from marine sponges (Porifera): isolation and structure of the seven main carotenoids from Agelas schmidtii".
  • Ref.372: Litchfield, Carter; Liaaen-Jensen, Synnoeve, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1980), 66B(3), 359-65., "Animal carotenoids. Part 23. Carotenoids of the marine sponge, Microciona prolifera".
  • Ref.97: Matsuno, Takao; Maoka, Takashi; Katagiri, Kiyoshi; Komori, Tadaaki, Nippon Suisan Gakkaishi (1984), 50(6), 1071-5., "A new carotenoid, isorenieradicistene from the sea sponge, Suberites sericeus".
    • CAS
    55906-76-8, 76332-64-4
    Links to other DB
    KNApSAcK: C00023012

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