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Carotenoids DB          Carotenoids DB: CA00903   
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Entry
CA00903                                                            
Classification
Carotenoid Name
Crocin 2;
Crocin B;
Tricrocin;
Crocetin gentiobiosyl glucosyl ester
IUPAC name 8-beta-Gentiobiosyl-8'-beta-D-glucosy-8,8'-diapocarotene-8,8'-dioate
Formula
C38H54O19
Molecular Weight 
814.812 g/mol
Structure      Search similar carotenoids

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

InChIKey

Canonical SMILES

XLogP
0.323
Hydrogen Bond donors
(Lipinski's definition)
11
Hydrogen Bond Acceptors
(Lipinski's definition)
19
LipinskiFailures
3
Complexity of molecule
0.342
Number of heavy atoms
57
TPSA
(Topological Polar Surface Area) 
312.050 Å2
Reaction
  • Substrate: CR00309
  • Product: CR00304,  CR00311
    • Pathway
  • Pathway: CB000082,  CB000083
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Gardenia Jasminoides (Ref.159, Ref.383) - Land plant: gardenia (Streptophyta - Rubiaceae)
    References
  • Ref.159: Coran, Silvia A.; Mulas, Stefano; Vasconi, Alessio, Journal of Chromatography A (2014), 1325, 221-226., "Profiling of components and validated determination of iridoids in Gardenia Jasminoides Ellis fruit by a high-​ performance-t​ hin-l​ ayer- chromatography/​ mass spectrometry approach".
  • 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
    55750-84-0
    Links to other DB

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