2-exo-hydroxy-1,4-cineole (CHEBI:90956)

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ChEBI Name	*2-exo-hydroxy-1,4-cineole*

ChEBI ID	CHEBI:90956

ChEBI ASCII Name	2-exo-hydroxy-1,4-cineole

Definition	A cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration).

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

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

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Formula

C10H18O2

Net Charge

Average Mass

170.249

Monoisotopic Mass

170.13068

InChI

InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1

InChIKey

IFQZADDJTDGGCP-AEJSXWLSSA-N

SMILES

[C@]12(CC[C@](C[C@@H]1O)(C(C)C)O2)C

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. (via cineole )

ChEBI Ontology
Outgoing	2-exo-hydroxy-1,4-cineole (CHEBI:90956) has role human xenobiotic metabolite (CHEBI:76967) 2-exo-hydroxy-1,4-cineole (CHEBI:90956) has role rat metabolite (CHEBI:86264) 2-exo-hydroxy-1,4-cineole (CHEBI:90956) is a cineole (CHEBI:23243)

IUPAC Name

(1R,2S,4S)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol

Synonym	Source
2-exo-hydroxy-1,4-cineole	UniProt

Registry Number	Type	Source
5241415	Reaxys Registry Number	Reaxys

Citation	Type	Source
11695850	PubMed citation	SUBMITTER

Last Modified

04 March 2016