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Carotenoids DB          Carotenoids DB: CA01231   
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Entry
CA01231                                                            
Classification
Carotenoid Name
3-Methoxyleprotene;
3-Methoxy-isorenieratene
IUPAC name 3-Methoxyl-phi,phi-Carotene
Formula
C41H50O
Molecular Weight 
558.81 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15
Number of
conjugated multiple bonds 
15
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
15.994
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.326
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
9.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Streptomyces argillaceus (Ref.771) - Actinobacteria (Actinobacteria - Streptomycetaceae)
References
  • Ref.771: Adriana Becerril et al., PLOS ONE | https://doi.org/10.1371/journal.pone.0198145 May 24, 2018, “Uncovering production of specialized metabolites by Streptomyces argillaceus: Activation of cryptic biosynthesis gene clusters using nutritional and genetic approaches”.
    • CAS

    Links to other DB

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