CHEBI:167177 - preluffariellolide A

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ChEBI Name preluffariellolide A
ChEBI ID CHEBI:167177
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C25H44O2
Net Charge 0
Average Mass 376.625
Monoisotopic Mass 376.33413
InChI InChI=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
InChIKey QUPQWMJLAYCBOI-VHJBELJQSA-N
SMILES C\C(CC\C=C(/C)CC\C=C(/C)CC[C@H]1C(C)(C)CCC[C@]1(C)O)=C/CO
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
(1S,2S)-2-[(3E,7E,11E)-13-hydroxy-3,7,11-trimethyltrideca-3,7,11-trien-1-yl]-1,3,3-trimethylcyclohexan-1-ol IUPAC
preluffariellolide A UniProt
Citation Waiting for Citations Type Source
24200803 PubMed citation SUBMITTER
Last Modified
27 January 2021