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Entry
CA00071                                                            

Classification
Carotenoid Name
Lycoxanthin;
Lycopen-16-ol
IUPAC name psi,psi-Carotene-16-ol
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
InChIKey
IFTRFNLCKUZSNG-SFEKFZNLSA-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(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)/C
XLogP
12.705
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.000
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms
Helvella esculenta (Ref.115) - Fungi: mushroom
Helvella gigas (Ref.115) - Fungi: mushroom
Helvella infula (Ref.115) - Fungi: mushroom
Lycopersicon esculentum (Ref.346) - Land plant: Solanaceae: tomato
References
  • Ref.115 : Czeczuga, B., Phyton (Horn, Austria) (1979), 19(3-4), 225-32., "Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae".
  • Ref.346 : Avraham Ben-Aziz, George Britton, Trevor W. Goodwin, Phytochemistry, Volume 12, Issue 11, November 1973, Pages 2759-2764, "Carotene epoxides of Lycopersicon esculentum".
  • CAS
    19891-74-8
    Links to other DB
    KNApSAcK: C00003778
    LipidBank: VCA1168
    ProCarDB: C1056

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