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Entry
CA00730                                                            

Classification
Carotenoid Name
7,8-Didehydroaaptopurpurin
IUPAC name 3-Methoxy-7,8-didehydro-beta,chi-carotene
Formula
C41H52O
Molecular Weight 
560.826 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 
13
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.619
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.319
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
9.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms

References

CAS
115516-52-4
Links to other DB
KNApSAcK: C00022841

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