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Entry
CA01029                                                            
Classification
Carotenoid Name
Tobiraxanthin C
IUPAC name (3S,3'S,5'S)-3,3',5'-trihydroxy-6',7'-didehydro-beta,beta-carotene-5,6-dione-3-myristate
Formula
C54H82O6
Molecular Weight 
827.196 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
16.307
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
6
LipinskiFailures
2
Complexity of molecule
0.042
Number of heavy atoms
60
TPSA
(Topological Polar Surface Area) 
100.900 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Pittosporum tobira (Ref.403, Ref.404, Ref.405) - Land plant (Streptophyta - Pittosporaceae)
References
  • Ref.403: Maoka, Takashi; Hashimoto, Keiji; Manabe, Kiyoshi; Fujiwara, Yasuhiro, Tennen Yuki Kagobutsu Toronkai Koen Yoshishu (1997), 39th, 487-492., "Structures of novel red carotenoids, tobiraxanthins from the seeds of Pittosporum tobira".
  • Ref.404: Fujiwara, Yasuhiro; Hashimoto, Keiji; Manabe, Kiyoshi; Maoka, Takashi, Tetrahedron Letters (2002), 43(24), 4385-4388., "Structures of tobiraxanthins A1, A2, A3, B, C and D, new carotenoids from the seeds of Pittosporum tobira".
  • Ref.405: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Phytochemistry (Elsevier) (2006), 67(19), 2120-2125., "5-Hydroxy-seco-carotenoids from Pittosporum tobira".
    • CAS
    229314-60-7
    Links to other DB

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