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Entry
CA00545                                                            
Classification
Carotenoid Name
4'-Hydroxy-3-oxoechinenone
IUPAC name 3,4'-Dihydroxy-2,3-didehydro-beta,beta-caroten-4-one
Formula
C40H52O3
Molecular Weight 
580.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.336
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
57.530 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Protosiphon botryoides  - Green alga: Chlamydomonadales (Chlorophyta - Chlamydomonadales)
References

CAS
58720-56-2
Links to other DB

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