Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:66473 - 1α-hydroperoxy-guaia-10(15),11-diene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1α-hydroperoxy-guaia-10(15),11-diene
ChEBI ID
CHEBI:66473
ChEBI ASCII Name
1alpha-hydroperoxy-guaia-10(15),11-diene
Definition
A guaiane sesquiterpenoid that is guaia-10(15),11-diene substituted by a α-hydroperoxy group at position 1. 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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H24O2
Net Charge
0
Average Mass
236.34990
Monoisotopic Mass
236.17763
InChI
InChI=1S/C15H24O2/c1-
10(2)
13-
6-
5-
12(4)
15(17-
16)
8-
7-
11(3)
14(15)
9-
13/h11,13-
14,16H,1,4-
9H2,2-
3H3/t11-
,13+,14-
,15+/m0/s1
InChIKey
LSSAEGXLQBRSBC-PMOUVXMZSA-N
SMILES
[H][C@@]12C[C@@H](CCC(=C)[C@@]1(CC[C@@H]2C)OO)C(C)=C
Metabolite of Species
Details
Pogostemon cablin
(NCBI:txid28511)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Roles Classification
Biological Role
(s):
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
(s):
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1α-hydroperoxy-guaia-10(15),11-diene (
CHEBI:66473
)
has role
metabolite (
CHEBI:25212
)
1α-hydroperoxy-guaia-10(15),11-diene (
CHEBI:66473
)
has role
trypanocidal drug (
CHEBI:36335
)
1α-hydroperoxy-guaia-10(15),11-diene (
CHEBI:66473
)
is a
guaiane sesquiterpenoid (
CHEBI:36744
)
1α-hydroperoxy-guaia-10(15),11-diene (
CHEBI:66473
)
is a
peroxol (
CHEBI:35924
)
IUPAC Name
(1
S
,3a
S
,7
R
,8a
S
)-
1-
methyl-
4-
methylidene-
7-
(prop-
1-
en-
2-
yl)octahydroazulen-
3a(1
H
)-
yl hydroperoxide
Registry Number
Type
Source
9928499
Reaxys Registry Number
Reaxys
Citation
Type
Source
15577255
PubMed citation
Europe PMC
Last Modified
03 July 2013