CHEBI:29452 - nerol

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ChEBI Name nerol
ChEBI ID CHEBI:29452
Definition The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7523, CHEBI:24220
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Formulae C10H18O
C10H18O
Net Charge 0
Average Mass 154.250
Monoisotopic Mass 154.13577
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKey GLZPCOQZEFWAFX-YFHOEESVSA-N
SMILES C(=C\CO)(\CCC=C(C)C)/C
Roles Classification
Biological Role(s): 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(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
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ChEBI Ontology
Outgoing 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 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 Sources
(2Z)-3,7-dimethyl-2,6-octadien-1-ol NIST Chemistry WebBook
(Z)-3,7-dimethyl-2,6-octadien-1-ol ChemIDplus
(Z)-3,7-Dimethylocta-2,6-dien-1-ol KEGG COMPOUND
(Z)-geraniol ChemIDplus
2-cis-3,7-dimethyl-2,6-octadien-1-ol ChemIDplus
cis-3,7-dimethyl-2,6-octadien-1-ol NIST Chemistry WebBook
cis-geraniol ChEBI
Nerol KEGG COMPOUND
nerol UniProt
neryl alcohol ChemIDplus
Manual Xrefs Databases
C00000855 KNApSAcK
C09871 KEGG COMPOUND
CN103342627 Patent
CPD-7978 MetaCyc
LMPR0102010010 LIPID MAPS
MX2013000640 Patent
Nerol Wikipedia
View more database links
Registry Numbers Types Sources
106-25-2 CAS Registry Number ChemIDplus
106-25-2 CAS Registry Number NIST Chemistry WebBook
1722454 Reaxys Registry Number Reaxys
1722454 Beilstein Registry Number Beilstein
1722455 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23999034 PubMed citation Europe PMC
24269775 PubMed citation Europe PMC
24599108 PubMed citation Europe PMC
Last Modified
03 October 2019