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Entry
CA00802                                                            

Classification
Carotenoid Name
γ-Damascenone;
gamma-Damascenone
IUPAC name 7,8,9,10-tetrahydro-3,4,8,9-tetradehydro-19-nor-gamma-caroten-7-one
Formula
C13H18O
Molecular Weight 
190.274 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2 and 2 including one ketone (4 in total)
Number of
conjugated multiple bonds 
2 and 2 including one ketone (4 in total)
Isomers 
InChI
InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,12H,2,9H2,1,3-4H3/b7-5+
InChIKey
NTFPXECSILEYKG-FNORWQNLSA-N
Canonical SMILES
C/C=C/C(=O)C1C(=C)C=CCC1(C)C
XLogP
3.612
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
0
Complexity of molecule
0.188
Number of heavy atoms
14
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Source organisms
Prunus domestica (Ref.382) - Land plant: Rosaceae: prune
Nicotiana tabacum (Ref.381) - Land plant: common tobacco
References
  • Ref.382 : Moutounet, M., Internationale Fruchtsaft-Union, Wissenschaftlich-Technische Kommission, [Berichte] (1978), 15(Aromast. Fruechten Fruchtsaeften), 363-72., "Formation of volatile compounds during the elaboration of prunes".
  • Ref.381 : Wu, Yi; Zeng, Xiaoying; Hu, Weiyao; Yan, Keliang; Li, Qinghua, Faming Zhuanli Shenqing (2012), CN 102326857 A 20120125., "Method for improving quality of low-grade tobacco leaves".
  • CAS
    69522-93-6
    Links to other DB

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