Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00332   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00332                                                            

Classification
Carotenoid Name
Parasiloxanthin
IUPAC name 7,8-Dihydro-beta,beta-carotene-3,3'-diol
Formula
C40H58O2
Molecular Weight 
570.864 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
InChI
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+
InChIKey
ZAYHYNGKERKFHJ-ZRVUQIMUSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CC(CC1(C)C)O)/C)/C)/C=C/C=C(/CCC1=C(C)CC(CC1(C)C)O)\C
XLogP
10.276
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.300
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Source organisms
Parasilurus asotus (Ref.441) - Bony fish: catfish
References
  • Ref.441 : Takao Matsuno, Seiichi Nagata, Keisuke Kitamura, Tetrahedron Letters Volume 17, Issue 50, 1976, Pages 4601–4604, "New carotenoids, parasiloxanthin and 7,8-dihydroparasiloxanthin".
  • CAS
    62994-48-3
    Links to other DB
    KNApSAcK: C00022866
    LipidBank: VCA1010
    MassBank: CA000110

       Search other references with Google Scholar