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Entry
CA00890                                                            

Classification
Carotenoid Name
(all-E)-Bixindial;
Bixin aldehyde;
Bixin 6,6'-dial
IUPAC name 6,6'-Diapocarotene-6,6'-dial
Formula
C24H28O2
Molecular Weight 
348.464 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including two aldehydes (11 in total)
Number of
conjugated multiple bonds 
11 including two aldehydes (11 in total)
Isomers 
InChI
InChI=1S/C24H28O2/c1-21(13-7-15-23(3)17-9-19-25)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26/h5-20H,1-4H3/b6-5+,13-7+,14-8+,17-9+,18-10+,21-11+,22-12+,23-15+,24-16+
InChIKey
IMKFJOUBSRCEPD-DBTAAFGWSA-N
Canonical SMILES
O=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
XLogP
6.444
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.000
Number of heavy atoms
26
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms

References

CAS
34561-05-2
Links to other DB
LipidBank: VCA1126

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