10alpha-hydroperoxy-guaia-1,11-diene (CHEBI:66472)

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ChEBI Name	10α-hydroperoxy-guaia-1,11-diene

ChEBI ID	CHEBI:66472

ChEBI ASCII Name	10alpha-hydroperoxy-guaia-1,11-diene

Definition	A guaiane sesquiterpenoid that is guaia-1,11-diene substituted by a α-hydroperoxy group at position 10. Isolated from Pogostemon cablin, it exhibits trypanocidal activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O2

Net Charge

Average Mass

236.34990

Monoisotopic Mass

236.17763

InChI

InChI=1S/C15H24O2/c1-10(2)12-7-8-15(4,17-16)14-6-5-11(3)13(14)9-12/h6,11-13,16H,1,5,7-9H2,2-4H3/t11-,12+,13-,15+/m0/s1

InChIKey

WVEJIBNZNZLFEF-SFDCQRBFSA-N

SMILES

[H][C@@]12C[C@@H](CC[C@@](C)(OO)C1=CC[C@@H]2C)C(C)=C

Metabolite of Species	Details
Pogostemon cablin (NCBI:txid28511)	Found in whole plant (BTO:0001461). See: PubMed

Roles Classification
Biological Role(s):	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(s):	trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

ChEBI Ontology
Outgoing	10α-hydroperoxy-guaia-1,11-diene (CHEBI:66472) has role metabolite (CHEBI:25212) 10α-hydroperoxy-guaia-1,11-diene (CHEBI:66472) has role trypanocidal drug (CHEBI:36335) 10α-hydroperoxy-guaia-1,11-diene (CHEBI:66472) is a guaiane sesquiterpenoid (CHEBI:36744) 10α-hydroperoxy-guaia-1,11-diene (CHEBI:66472) is a peroxol (CHEBI:35924)

IUPAC Name

(1S,4R,7R,8aS)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,4,5,6,7,8,8a-octahydroazulen-4-yl hydroperoxide

Registry Number	Type	Source
9925408	Reaxys Registry Number	Reaxys

Citation	Type	Source
15577255	PubMed citation	Europe PMC

Last Modified

03 July 2013