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Entry
CA01001                                                            

Classification
Carotenoid Name
Apo-11-zeaxanthinal
IUPAC name (3R)-3-Hydroxy-11-apo-beta-caroten-11-al
Formula
C15H22O2
Molecular Weight 
234.326 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
4 including one aldehyde (4 in total)
Number of
conjugated multiple bonds 
4 including one aldehyde (4 in total)
Isomers 
InChI
InChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h5-8,13,17H,9-10H2,1-4H3/b6-5+,11-7+/t13-/m1/s1
InChIKey
YMYPOEDCYSNBAO-NECKEDLISA-N
Canonical SMILES
O=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\C
XLogP
2.470
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
0
Complexity of molecule
0.154
Number of heavy atoms
17
TPSA
(Topological Polar Surface Area) 
37.300 Å2
Source organisms
Capsicum annuum L. (Ref.380) - Land plant: green pepper
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
    260244-86-8
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