Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00776   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA00776                                                            
Classification
Carotenoid Name
3-Ethanoyloxyisorenieratene
IUPAC name 3-Ethanoyloxy-phi,phi-Caroten
Formula
C42H50O2
Molecular Weight 
586.82 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
16
Number of
conjugated multiple bonds 
16
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
16.215
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.319
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
26.300 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Brevibacterium linens (Ref.85) - Actinobacteria (Actinobacteria - Brevibacteriaceae)
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".
    • CAS
    23394-42-5
    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search