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Entry
CA01205                                                            

Classification
Carotenoid Name
Apo-14,8'-diapo-carotenedial;
2,6-dimethyldeca-2,4,6,8-tetraenedial;
IUPAC name 14,8'-Diapocarotene-14,8'-dial
Formula
C12H14O2
Molecular Weight 
190.232 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6 including two aldehydes (6 in total)
Number of
conjugated multiple bonds 
6 including two aldehydes (6 in total)
Isomers 
InChI
InChI=1S/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+
InChIKey
NOURWHKLHSWPGX-KIUBFKPTSA-N
Canonical SMILES
O=C/C=C/C=C(/C=C/C=C(/C=O)\C)\C
XLogP
1.979
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
14
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms

References

CAS

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