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Entry
CA00195                                                            

Classification
Carotenoid Name
7',8',11',12'-Tetrahydro-γ-carotene;
7',8',11',12'-Tetrahydro-gamma-carotene
IUPAC name 7',8',11',12'-Tetrahydro-beta,psi-carotene
Formula
C40H60
Molecular Weight 
540.88 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
  • Constitutional isomer: CA00049, CA00048, CA00051, CA00050, CA00300, CA00318
  • InChI
    InChI=1S/C40H60/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,16,18-20,23-25,27,29-30H,13-15,17,21-22,26,28,31H2,1-10H3/b12-11+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
    InChIKey
    CJPVGWWWFOEZJV-FOBJUVIXSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
    XLogP
    14.744
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.060
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Coccinella septempunctata (Ref.116) - Insect: seven-spotted ladybird
    References
  • Ref.116 : Britton, George; Lockley, William J. S.; Harriman, Garry A.; Goodwin, Trevor W., Nature (London, United Kingdom) (1977), 266(5597), 49-50., "Pigmentation of the ladybird beetle Coccinella septempunctata by carotenoids not of plant origin".
  • CAS
    51599-06-5
    Links to other DB
    KNApSAcK: C00022808

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