Crocin
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Molecular Identity
Crocin
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
PubChem CID: 5281233
Crocin-1 is a diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. It has a role as an antioxidant, a plant metabolite, a histological dye and a food colouring. It is a diterpenoid, a diester and a disaccharide derivative. It is functionally related to a gentiobiose and a beta-D-gentiobiosyl crocetin.
2D Structure
Properties
C44H64O24
Molecular Formula
977.00
Molecular Weight
g/mol
976.3788
Exact Mass
Da
-2.5
XLogP
Drug-like (Lipinski: < 5)
391
TPSA
May have limited oral absorption
14
H-Bond Donors
24
H-Bond Acceptors
1730
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Crocin42553-65-1CrocineCrocin 1Crocin Aalpha-CrocinCrocetin bis(gentiobiosyl) estertrans-Crocetin di(beta-D-gentiobiosyl) estercrocetin di-gentiobiose esterDTXSID7046172877GWI46C2all-trans-Crocetin di-beta-D-gentiobiosyl esterDTXCID201457bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate39465-00-4
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Crocin
Loading drug network...