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Entry
CA00370                                                            

Classification
Carotenoid Name
3',4'-Didehydroisocryptoxanthin
IUPAC name 3',4'-Didehydro-beta,beta-caroten-4-ol
Formula
C40H54O
Molecular Weight 
550.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
12.590
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Adonis aestivalis (Ref.271) - Land plant: adonis flower (Streptophyta - Ranunculaceae)
Pallasea cancelloides  - Amphipod (Arthropoda - Pallaseidae)
References
  • Ref.271: Kazuko Ida, Kazumori Masamoto, Takashi Maoka, Yasuhiro Fujiwara, Satomi Takeda, Emiko Hasegawa, Journal of Plant Research, September 1995, Volume 108, Issue 3, pp 369-376, "The leaves of the common box,Buxus sempervirens (Buxaceae), become red as the level of a red carotenoid, anhydroeschscholtzxanthin, increases".
  • CAS
    4441-44-5
    Links to other DB

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