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Entry
CA00896                                                            
Classification
Carotenoid Name
Crocin 5;
Crocetin monoglucosyl ester;
Crocin E
IUPAC name 8-beta-D-Glucopyranosyl-8'-hydrogen-8,8'-diapocarotene-8,8'-dioate
Formula
C26H34O9
Molecular Weight 
490.532 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including carboxylic acid and carboxylic acid glucoside ester (9 in total)
Number of
conjugated multiple bonds 
9 including carboxylic acid methyl ester and carboxylic acid glucoside ester (9 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
3.166
Hydrogen Bond donors
(Lipinski's definition)
5
Hydrogen Bond Acceptors
(Lipinski's definition)
9
LipinskiFailures
1
Complexity of molecule
0.087
Number of heavy atoms
35
TPSA
(Topological Polar Surface Area) 
153.750 Å2
Reaction
  • Substrate: CR00308
  • Product: CR00296
    • Pathway
  • Pathway: CB000082
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Gardenia Jasminoides (Ref.383) - Land plant: gardenia (Streptophyta - Rubiaceae)
    References
  • Ref.383: Mai Nagatoshia, Kazuyoshi Terasakaa, Miki Owakia, Makiko Sotaa, Tatsunori Inukaia, Akito Nagatsub, Hajime Mizukami, FEBS letters, Volume 586, Issue 7, 5 April 2012, Pages 1055–1061, "UGT75L6 and UGT94E5 mediate sequential glucosylation of crocetin to crocin in Gardenia jasminoides".
    • CAS
    58050-17-2, CA00896
    Links to other DB
    KNApSAcK: C00023155

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