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Entry
CA00079                                                            

Classification
Carotenoid Name
Lycophyll;
Lycopene-16,16'-diol, all-trans- (8CI);
Lycophyll (6CI,7CI);
(all-trans)-Lycopene-16,16'-diol, all-trans-Lycophyll
IUPAC name psi,psi-Carotene-16,16'-diol
Formula
C40H56O2
Molecular Weight 
568.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI
InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
InChIKey
JEVVKJMRZMXFBT-CCHFXWJWSA-N
Canonical SMILES
OC/C(=C/CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CC/C=C(/CO)\C)\C)\C)\C)/C)/C)/C)/C
XLogP
10.824
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Source organisms

References

CAS
19891-75-9
Links to other DB
KNApSAcK: C00022905
LipidBank: VCA1169

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