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

Default Structure
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:
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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