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CHEBI:16271 - 2-exo-hydroxy-1,8-cineole

ChEBI IDCHEBI:16271
ChEBI Name2-exo-hydroxy-1,8-cineole
Stars
ASCII Name2-exo-hydroxy-1,8-cineole
DefinitionA cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration).
Secondary ChEBI IDsCHEBI:2239, CHEBI:12200, CHEBI:20718, CHEBI:64699
Last Modified3 August 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESCC1(C)O[C@]2(C)CC[C@H]1C[C@@H]2O
InChIInChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKeyYVCUGZBVCHODNB-OYNCUSHFSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
2-exo-hydroxy-1,8-cineole (CHEBI:16271) is a cineole (CHEBI:23243)
IUPAC Name 
(1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Synonym  Source
6-endo-HydroxycineoleKEGG COMPOUND
UniProt Name  Source
2-exo-hydroxy-1,8-cineoleUniProt
Manual XrefsDatabases
C03092KEGG COMPOUND
LMPR0102090065LIPID MAPS
Registry NumbersSources
Beilstein:5727572Beilstein
Citations