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Entry
CA00290                                                            

Classification
Carotenoid Name
8'-Hydroxy-7',8'-dihydrocitranaxanthin
IUPAC name 8'-Hydroxy-5',6',7',8'-tetrahydro-18'-nor-5'-apo-beta,psi-caroten-6'-one
Formula
C33H46O2
Molecular Weight 
474.698 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA00029
  • InChI
    InChI=1S/C33H46O2/c1-25(14-9-10-15-26(2)18-12-19-29(5)32(35)24-30(6)34)16-11-17-27(3)21-22-31-28(4)20-13-23-33(31,7)8/h9-12,14-19,21-22,32,35H,13,20,23-24H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,25-14+,26-15+,27-17+,29-19+
    InChIKey
    RXWWNRBIVOMKOK-MPBGZXJYSA-N
    Canonical SMILES
    CC(=O)CC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C)O
    XLogP
    9.085
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.074
    Number of heavy atoms
    35
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Source organisms
    References
  • Ref.269 : Yokoyama, Henry; White, Michael James, Journal of Organic Chemistry (1966), 31(10), 3452-4., "Citrus carotenoids.  V.  Isolation of 8'-hydroxy-8',9'-dihydrocitranaxanthin".
  • CAS
    15446-86-3
    Links to other DB

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