Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA01136   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA01136                                                            

Classification
Carotenoid Name
8',10-apocarotenal;
8',10-diapo-dialdehyde
IUPAC name 8',10-Diapocarotene-8',10-dial
Formula
C17H20O2
Molecular Weight 
256.33 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including two aldehydes (8 in total)
Number of
conjugated multiple bonds 
8 including two aldehydes (8 in total)
Isomers 
InChI
InChI=1S/C17H20O2/c1-15(10-6-11-17(3)14-19)8-4-5-9-16(2)12-7-13-18/h4-14H,1-3H3/b5-4+,10-6+,12-7+,15-8+,16-9+,17-11+
InChIKey
OATKIQKYFYPALV-LIIBWLHSSA-N
Canonical SMILES
O=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=O)\C)\C)/C
XLogP
3.759
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
19
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms
Nostoc sp. PCC 7120 (Ref.550) - Cyanobacteria: same as Anabaena sp. PCC 7120
References
  • Ref.550 : Erin K. Marasco, Kimleng Vay, and Claudia Schmidt-Dannert, THE JOURNAL OF BIOLOGICAL CHEMISTRY VOL. 281, NO. 42, pp. 31583–31593, October 20, 2006, "Identification of Carotenoid Cleavage Dioxygenases from Nostoc sp. PCC 7120 with Different Cleavage Activities".
  • CAS

    Links to other DB

       Search other references with Google Scholar