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Entry
CA00774                                                            

Classification
Carotenoid Name
3-Hydroxyisorenieratene
IUPAC name phi,phi-Caroten-3-ol
Formula
C40H48O
Molecular Weight 
544.784 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
15.475
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
1
Complexity of molecule
0.337
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area) 
20.230 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Brevibacterium linens (Ref.85) - Actinobacteria (Actinobacteria - Brevibacteriaceae)
Streptomyces argillaceus (Ref.771) - Actinobacteria (Actinobacteria - Streptomycetaceae)
Streptomyces mediolani (Ref.86, Ref.87, Ref.88) - Actinobacteria (Actinobacteria - Streptomycetaceae)
References
  • Ref.85: Kohl, Werner; Achenbach, Hans; Reichenbach, Hans, Phytochemistry (Elsevier) (1983), 22(1), 207-10., "Investigations on metabolites of microorganisms. Part 24. The pigments of Brevibacterium linens: aromatic carotenoids".
  • Ref.86: Arcamone, Federico; Camerion, Bruno; Franceschi, Giovanni; Penco, Sergio, Gazzetta Chimica Italiana (1970), 100(6), 581-90., "Structure and synthesis of new phenolic carotenoids from Streptomyces mediolani".
  • Ref.87: Arcamone, Federico; Camerino, Bruno; Cotta, E.; Franceschi, Giovanni; Grein, Arpad; Penco, Sergio; Spalla, Celestino, Experientia (1969), 25(3), 241-2., "Carotenoids from Streptomyces mediolani".
  • Ref.88: Bianchi, Maria L.; Grein, A.; Julita, P.; Marnati, Maria P.; Spalla, Celestino, Zeitschrift fuer Allgemeine Mikrobiologie (1970), 10(4), 237-44., "Streptomyces mediolani and its production of carotenoids".
  • 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
    23394-40-3
    Links to other DB
    KNApSAcK: C00022850

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