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CHEBI:167177 - preluffariellolide A

ChEBI IDCHEBI:167177
ChEBI Namepreluffariellolide A
Stars
DefinitionA sesterterpenoid that is cyclohexane substituted by methyl, hydroxy, (2E,6E,10E)-1-hydroxy-3,7,11-trimethyltrideca-2,6,10-trien-13-yl, methyl and methyl groups at positions 1,1,2,3 and 3, respectively.
Last Modified27 January 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H44O2
Net Charge0
Average Mass376.625
Monoisotopic Mass376.33413
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC[C@H]1C(C)(C)CCC[C@]1(C)O
InChIInChI=1S/C25H44O2/c1-20(11-8-13-22(3)16-19-26)10-7-12-21(2)14-15-23-24(4,5)17-9-18-25(23,6)27/h11-12,16,23,26-27H,7-10,13-15,17-19H2,1-6H3/b20-11+,21-12+,22-16+/t23-,25-/m0/s1
InChIKeyQUPQWMJLAYCBOI-VHJBELJQSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
preluffariellolide A (CHEBI:167177) has role plant metabolite (CHEBI:76924)
preluffariellolide A (CHEBI:167177) is a diol (CHEBI:23824)
preluffariellolide A (CHEBI:167177) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexanol
Synonym  Source
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexan-1-olIUPAC
UniProt Name  Source
preluffariellolide AUniProt
Citations