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:70479 - isopulegol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isopulegol
ChEBI ID
CHEBI:70479
Definition
A natural product found in
Citrus hystrix
.
Stars
This entity has been manually annotated by a third party.
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
C10H18O
Net Charge
0
Average Mass
154.24930
Monoisotopic Mass
154.13577
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey
ZYTMANIQRDEHIO-KXUCPTDWSA-N
SMILES
C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
Metabolite of Species
Details
Citrus hystrix
(NCBI:txid170989)
Found in exocarp
(BTO:0000733)
. The hexane extract of dried and ground fruit peels 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isopulegol (
CHEBI:70479
)
has role
metabolite (
CHEBI:25212
)
isopulegol (
CHEBI:70479
)
is a
p
-menthane monoterpenoid (
CHEBI:25186
)
Synonyms
Sources
(1R,3R,4S)-p-Menth-8-en-3-ol
ChEBI
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-
ChEBI
Manual Xref
Database
HMDB0036078
HMDB
View more database links
Registry Number
Type
Source
89-79-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
20964319
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:monoterpenoid(CHEBI:25409); ISA:cyclohexanols(CHEBI:23480); ISA:organic hydroxy compound(CHEBI:33822);