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Entry
CA00885                                                            
Classification
Carotenoid Name
Retro-C18-dione
IUPAC name 9,10-Dihydro-10,9'-retro-9,9'-diapocarotene-9,9'-dione
Formula
C18H22O2
Molecular Weight 
270.356 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including two ketones (8 in total)
Number of
conjugated multiple bonds 
8 including two ketones (8 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
3.940
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
0
Complexity of molecule
0.000
Number of heavy atoms
20
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Capsicum annuum L. (Ref.380) - Land plant: green pepper (Streptophyta - Solanaceae)
References
  • Ref.380: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2001), 49(3), 1601-1606., "Isolation of a Series of Apocarotenoids from the Fruits of the Red Paprika Capsicum annuum L.".
    • CAS
    336105-84-1
    Links to other DB
    KNApSAcK: C00022194

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