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CHEBI:53168 - picrocrocin

Default Structure
ChEBI IDCHEBI:53168
ChEBI Namepicrocrocin
Stars
DefinitionA β-D-glucoside of β-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron.
Last Modified5 March 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H26O7
Net Charge0
Average Mass330.377
Monoisotopic Mass330.16785
SMILESCC1=C(C=O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1
InChIKeyWMHJCSAICLADIN-WYWSWGBSSA-N
ChEBI Ontology
Outgoing Relation(s)
picrocrocin (CHEBI:53168) has functional parent β-cyclocitral (CHEBI:53177)
picrocrocin (CHEBI:53168) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(1R)-4-formyl-3,5,5-trimethylcyclohex-3-en-1-yl β-D-glucopyranoside
Synonym  Source
(R)-4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehydeChemIDplus
UniProt Name  Source
picrocrocinUniProt
Manual XrefsDatabases
C17055KEGG COMPOUND
Registry NumbersSources
Beilstein:37745Beilstein
CAS:138-55-6ChemIDplus
CAS:138-55-6KEGG COMPOUND
Citations