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Entry
CA00199                                                            

Classification
Carotenoid Name
Aleuriaxanthin;
(2'R)-Aleuriaxanthin
IUPAC name (2'R)-1',16'-Didehydro-1',2'-dihydro-beta,psi-caroten-2'-ol
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI
InChI=1S/C40H56O/c1-31(2)39(41)29-27-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-28-38-37(8)25-16-30-40(38,9)10/h11-15,17-24,26,28,39,41H,1,16,25,27,29-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-/m1/s1
InChIKey
QNZZRCYICVHHEE-AYSHKJLBSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CC[C@H](C(=C)C)O)\C)\C
XLogP
12.675
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.062
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Source organisms
Helvella gigas (Ref.115) - Fungi: mushroom
Helvella infula (Ref.115) - Fungi: mushroom
References
  • Ref.115 : Czeczuga, B., Phyton (Horn, Austria) (1979), 19(3-4), 225-32., "Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae".
  • CAS
    51599-07-6
    Links to other DB
    KNApSAcK: C00022849

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