Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00946   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00946                                                            

Classification
Carotenoid Name
Deoxyoscillol 2-rhamnoside
IUPAC name 2-(alpha-L-Rhamnosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C46H66O7
Molecular Weight 
730.988 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00103, CA00230, CA00961, CA00212, CA00240, CA00211, CA00269, CA00561
  • InChI
    InChI=1S/C46H66O7/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-45(8,9)50)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-40(46(10,11)51)53-44-43(49)42(48)41(47)39(7)52-44/h12-31,39-44,47-51H,32H2,1-11H3/b13-12+,21-14+,22-15+,25-16+,26-17+,29-18+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41-,42+,43+,44-/m0/s1
    InChIKey
    LIHYAHCZKCBCHN-XOLSPTSOSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(O)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(O)(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)\C)\C
    XLogP
    10.762
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.050
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    119.610 Å2
    Source organisms
    Gemmatimonas aurantiaca (Ref.194, Ref.348) - Gemmatimonadetes
    References
  • Ref.194 : Shinichi Takaichi, Takashi Maoka, Kazuto Takasaki and Satoshi Hanada, Microbiology (2010), 156, 757–763, "Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): identification of a novel carotenoid, deoxyoscillol 2 rhamnoside,and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
  • Ref.348 : Takaichi, Shinichi; Maoka, Takashi; Takasaki, Kazuto; Hanada, Satoshi, Microbiology (Reading, United Kingdom) (2010), 156(3), 757-763., "Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): Identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
  • CAS
    1283152-42-0
    Links to other DB
    ProCarDB: C1685

       Search other references with Google Scholar