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Entry
CA01055                                                            

Classification
Carotenoid Name
(2S,5S,6R)-plinol;
Plinol A
IUPAC name (2S,5S,6R)-7-apo-1,16-didehydro-2,6-cyclolycopene-psi-caroten-5-ol
Formula
C10H18O
Molecular Weight 
154.244 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
0
Number of
conjugated multiple bonds 
0
Isomers 
InChI
InChI=1S/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3/t8-,9-,10+/m1/s1
InChIKey
ZRVPDCMGGOSDKG-BBBLOLIVSA-N
Canonical SMILES
CC(=C)[C@H]1CC[C@]([C@@H]1C)(C)O
XLogP
2.243
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
0
Complexity of molecule
0.172
Number of heavy atoms
11
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms
Solanum lycopersicum (Ref.318) - Land plant: Solanaceae: tomato
References
  • Ref.318 : Tadashi YOKOTA, Hideo ETOH, Shunji OSHIMA, Kirou HAYAKAWA and Yukio ISHIGURO, Bioscience, Biotechnology, and Biochemistry, Volume 67, Issue 12, 2003, "Oxygenated Lycopene and Dehydrated Lutein in Tomato Puree".
  • CAS
    4028-59-5
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