CHEBI:29452 - nerol

ChEBI IDCHEBI:29452
ChEBI Namenerol
Stars
DefinitionThe (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.
Secondary ChEBI IDsCHEBI:7523, CHEBI:24220
Last Modified3 October 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC(C)=CCC/C(C)=C\CO
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKeyGLZPCOQZEFWAFX-YFHOEESVSA-N
Wikipedia
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
nerol (CHEBI:29452) has role fragrance (CHEBI:48318)
nerol (CHEBI:29452) has role plant metabolite (CHEBI:76924)
nerol (CHEBI:29452) has role volatile oil component (CHEBI:27311)
nerol (CHEBI:29452) is a 3,7-dimethylocta-2,6-dien-1-ol (CHEBI:24221)
Incoming Relation(s)
nerol oxide (CHEBI:144705) has functional parent nerol (CHEBI:29452)
neryl acetate (CHEBI:141210) has functional parent nerol (CHEBI:29452)
IUPAC Name 
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Synonyms  Source
NerolKEGG COMPOUND
cis-geraniolChEBI
(Z)-geraniolChemIDplus
cis-3,7-dimethyl-2,6-octadien-1-olNIST Chemistry WebBook
neryl alcoholChemIDplus
2-cis-3,7-dimethyl-2,6-octadien-1-olChemIDplus
UniProt Name  Source
nerolUniProt
Manual XrefsDatabases
C09871KEGG COMPOUND
LMPR0102010010LIPID MAPS
CPD-7978MetaCyc
CN103342627Patent
MX2013000640Patent
NerolWikipedia
C00000855KNApSAcK
Registry NumbersSources
Beilstein:1722455Beilstein
Reaxys:1722454Reaxys
CAS:106-25-2KEGG COMPOUND
CAS:106-25-2ChemIDplus
CAS:106-25-2NIST Chemistry WebBook
Citations