Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00566   
[   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
CA00566                                                            

Classification
Carotenoid Name
Halocynthiaxanthin 3'-acetate pyropheophorbide A ester
IUPAC name (3S,5R,6S,3'R)-3'-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-5,6-Epoxy-3'-ethanoyloxy-3-hydroxy-7',8'-didehydro-5,6,7,8-tetrahydro-beta,beta-caroten-8-one
Formula
C75H88N4O7
Molecular Weight 
1157.494 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 and 12 including one ketone (20 in total)
Number of
conjugated multiple bonds 
10 and 12 including one ketone (22 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.974
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
11
LipinskiFailures
3
Complexity of molecule
0.351
Number of heavy atoms
86
TPSA
(Topological Polar Surface Area) 
156.630 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Haliotis diversicolor aquatilis (Ref.157) - Shellfish: Abalone (Mollusca - Haliotoidea)
References
  • Ref.157: Maoka, Takashi; Etoh, Tetsuji; Akimoto, Naoshige; Yasui, Hiroyuki, Tetrahedron Letters (2011), Volume52 Issue23 Pages3012-3015, DOI:10.1016/j.tetlet.2011.03.14, "Novel carotenoid pyropheophorbide A esters from abalone".
  • CAS
    1311273-03-6
    Links to other DB

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