Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00782   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00782                                                            

Classification
Carotenoid Name
Renieracistene
IUPAC name (7Z)-phi,chi-Carotene
Formula
C40H48
Molecular Weight 
528.784 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15
Number of
conjugated multiple bonds 
15
Isomers 
  • Constitutional isomer: CA00771
  • Cis/trans isomer: CA00781
  • InChI
    InChI=1S/C40H48/c1-29(17-13-19-31(3)21-24-39-26-23-34(6)36(8)38(39)10)15-11-12-16-30(2)18-14-20-32(4)22-25-40-28-33(5)27-35(7)37(40)9/h11-28H,1-10H3/b12-11+,17-13+,18-14+,24-21+,25-22-,29-15+,30-16+,31-19+,32-20+
    InChIKey
    YIQRIEBZKDZQLZ-WHJOMXHFSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C/c1cc(C)cc(c1C)C)/C)/C)/C=C/C=C(/C=C/c1ccc(c(c1C)C)C)\C
    XLogP
    17.704
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.341
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Tethya amamensis (Ref.183) - Sea sponge
    References
  • Ref.183 : Tanaka, Yoshito; Yamamoto, Atsushi; Katayama, Teruhisa, Nippon Suisan Gakkaishi (1982), 48(11), 1651-5., "Biochemical studies on the carotenoids in Porifera. Two natural 7-​cis aromatic carotenoids from sea sponge Tethya amamensis".
  • CAS
    84773-17-1
    Links to other DB

       Search other references with Google Scholar