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Entry
CA01030                                                            

Classification
Carotenoid Name
Tobiraxanthin D
IUPAC name (3S,3'S,5'R,6'S)-3,3',5',6'-tetrahydroxy-beta,beta-carotene-5,6-dione-3-myristate
Formula
C54H84O7
Molecular Weight 
845.212 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
14.363
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.041
Number of heavy atoms
61
TPSA
(Topological Polar Surface Area) 
121.130 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
    229314-61-8
    Links to other DB

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