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Entry
CA00992                                                            

Classification
Carotenoid Name
(9Z)-Zeaxanthin-3'-Rhamnoside
IUPAC name (9Z,3R,3'R)-3'-(alpha-L-rhamnopyranosyloxy)-beta,beta-carotene-3-ol
Formula
C46H66O6
Molecular Weight 
714.988 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 
  • Cis/trans isomer: CA00361, CA00993, CA00994
  • InChI
    InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21-/t36-,37+,38+,41-,42+,43+,44+/m0/s1
    InChIKey
    PNUMJYSPLIEPOC-PZXJBJKVSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)/C
    XLogP
    10.159
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.314
    Number of heavy atoms
    52
    TPSA
    (Topological Polar Surface Area) 
    99.380 Å2
    Source organisms
    Sulfolobus shibatae (Ref.330) - Archaea: Crenarchaeota
    References
  • Ref.330 : Kull, Daniel R.; Pfander, Hanspeter, Journal of Natural Products¬†(1997),¬†60(4),¬†371-374., "Isolation and Structure Elucidation of Carotenoid Glycosides from the Thermoacidophilic Archaea Sulfolobus shibatae".
  • CAS
    186525-05-3
    Links to other DB

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