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CHEBI:66474 - 15α-hydroperoxy-guaia-1(10),11-diene

ChEBI IDCHEBI:66474
ChEBI Name15α-hydroperoxy-guaia-1(10),11-diene
Stars
ASCII Name15alpha-hydroperoxy-guaia-1(10),11-diene
DefinitionA guaiane sesquiterpenoid that is guaia-1(10),11-diene substituted by a α-hydroperoxy group at position 15. Isolated from Pogostemon cablin, it exhibits trypanocidal activity.
Last Modified3 July 2013
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILES[H][C@@]12C[C@H](C(=C)C)CCC(COO)=C1CC[C@@H]2C
InChIInChI=1S/C15H24O2/c1-10(2)12-5-6-13(9-17-16)14-7-4-11(3)15(14)8-12/h11-12,15-16H,1,4-9H2,2-3H3/t11-,12+,15-/m0/s1
InChIKeyOYLVRNLKRWKWJA-ZOWXZIJZSA-N
Species of MetaboliteComponentSourceComments
Pogostemon cablin (ncbitaxon:28511) whole plant (BTO:0001461) PubMed (15577255)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application:
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
ChEBI Ontology
Outgoing Relation(s)
15α-hydroperoxy-guaia-1(10),11-diene (CHEBI:66474) has role metabolite (CHEBI:25212)
15α-hydroperoxy-guaia-1(10),11-diene (CHEBI:66474) has role trypanocidal drug (CHEBI:36335)
15α-hydroperoxy-guaia-1(10),11-diene (CHEBI:66474) is a guaiane sesquiterpenoid (CHEBI:36744)
IUPAC Name 
[(1S,7R,8aS)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydroazulen-4-yl]methyl hydroperoxide
Registry NumbersSources
Reaxys:9928305Reaxys
Citations