Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA01137   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA01137                                                            

Classification
Carotenoid Name
C9-aldehyde
IUPAC name 14,9'-Diapocarotene-14,9'-dial
Formula
C9H10O2
Molecular Weight 
150.17 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5 including two aldehydes (5 in total)
Number of
conjugated multiple bonds 
5 including two aldehydes (5 in total)
Isomers 
InChI
InChI=1S/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3/b3-2+,6-4+,9-5+
InChIKey
HLZZDTVXNYNFKH-BNFXUGDESA-N
Canonical SMILES
O=C/C=C/C=C(/C=C/C=O)\C
XLogP
1.104
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
11
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms
Arabidopsis thaliana (Ref.554) - Land plant: thale-cress, a model organism
References
  • Ref.554 : Daniela S. Floss and Michael H. Walter, Plant Signaling & Behavior 4:3, 172-175; March 2009, "Role of carotenoid cleavage dioxygenase 1 (CCD1) in apocarotenoid biogenesis revisited".
  • CAS

    Links to other DB

       Search other references with Google Scholar