Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00153   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00153                                                            

Classification
Carotenoid Name
2,2'-Diapocarotene-dial
IUPAC name 2,2'-Diapo-carotene-2,2'-dial
Formula
C34H40O2
Molecular Weight 
480.66 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including two aldehydes (15 in total)
Number of
conjugated multiple bonds 
15 including two aldehydes (15 in total)
Isomers 
InChI
InChI=1S/C34H40O2/c1-29(17-9-19-31(3)21-11-23-33(5)25-13-27-35)15-7-8-16-30(2)18-10-20-32(4)22-12-24-34(6)26-14-28-36/h7-28H,1-6H3/b8-7+,17-9+,18-10+,21-11+,22-12+,25-13+,26-14+,29-15+,30-16+,31-19+,32-20+,33-23+,34-24+
InChIKey
MZAJLFGIMGOSAG-YMFMDPONSA-N
Canonical SMILES
O=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C=O)\C)\C)\C)/C)/C)/C
XLogP
10.004
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
36
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms

References

CAS
5056-19-9
Links to other DB

   Search other references with Google Scholar