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Entry
CA00584                                                            

Classification
Carotenoid Name
β-Carotenone;
beta-Carotenone
IUPAC name 5,6,5',6'-Diseco-beta,beta-carotene-5,6,5',6'-tetrone
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 
11 including two ketones (11 in total)
Number of
conjugated multiple bonds 
11 including two ketones (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
8.496
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
68.280 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Ceratozamia fuscoviridis (Ref.774) - Land plant: Zamiaceae (Streptophyta - Zamiaceae)
Ceratozamia kuesteriana (Ref.774) - Land plant: Zamiaceae (Streptophyta - Zamiaceae)
Ceratozamia sp. (Ref.223) - Land plant: Zamiaceae (Streptophyta - Zamiaceae)
Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
References
  • Ref.223: Cardini, Franco; Bonzi, Laura Morassi, Journal of Plant Physiology Volume162 Issue5 Pages517-528 Journal 2005 CODEN:JPPHEY ISSN:0176-1617 DOI:10.1016/j.jplph.2004.06.007, "Carotenoid composition and its chemotaxonomic significance in leaves of ten species of the genus Ceratozamia (Cycads)".
  • Ref.774: Antonio Selva et al., “Ceratozamiaxanthin: A Novel Keto-Carotenoid from Young Leaves of Two Cycads”.
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • CAS
    20126-74-3
    Links to other DB
    KNApSAcK: C00023173
    MassBank: CA000024

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