CHEBI:156234 - geranyl benzoate

ChEBI IDCHEBI:156234
ChEBI Namegeranyl benzoate
Stars
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol.
Last Modified28 October 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H22O2
Net Charge0
Average Mass258.361
Monoisotopic Mass258.16198
SMILESCC(C)=CCC/C(C)=C/COC(=O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChIKeyYDVXYTIIPGKIJP-NTCAYCPXSA-N
Species of MetaboliteComponentSourceComments
Gardenia taitensis (ncbitaxon:83587) - DOI (10.1080/10412905.1992.9698082)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
geranyl benzoate (CHEBI:156234) has functional parent benzoic acid (CHEBI:30746)
geranyl benzoate (CHEBI:156234) has functional parent geraniol (CHEBI:17447)
geranyl benzoate (CHEBI:156234) has role fragrance (CHEBI:48318)
geranyl benzoate (CHEBI:156234) has role plant metabolite (CHEBI:76924)
geranyl benzoate (CHEBI:156234) is a benzoate ester (CHEBI:36054)
geranyl benzoate (CHEBI:156234) is a monoterpenoid (CHEBI:25409)
geranyl benzoate (CHEBI:156234) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(2E)-3,7-dimethylocta-2,6-dien-1-yl benzoate
Synonyms  Source
benzoic acid, geraniol esterChemIDplus
geraniol benzoateChemIDplus
benzoic acid geranyl esterChemIDplus
trans-3,7-dimethyl-2,6-octadien-1-yl benzoateChemIDplus
benzoic acid geraniol esterChemIDplus
UniProt Name  Source
(2E)-geranyl benzoateUniProt
Manual XrefsDatabases
FDB011520FooDB
HMDB0033478HMDB
Registry NumbersSources
Reaxys:3119464Reaxys
CAS:94-48-4ChemIDplus
CAS:94-48-4NIST Chemistry WebBook
Citations