Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000417

Phytochemical name: Nerol

Synonymous chemical names:
(z)-geraniol, nerol*, Nerol, nerol⁄, nerol, cis-geraniol

External chemical identifiers:
CID:CID_643820, ChEMBL:CHEMBL452683, ChEBI:CHEBI:29452, ZINC:ZINC000012405252, FDASRS:38G5P53250, SureChEMBL:SCHEMBL19825, MolPort-003-928-873

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Chemical structure information

SMILES:
OC/C=C(\CCC=C(C)C)/C

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

DeepSMILES:
OC/C=C\CCC=CC)C)))))/C

Functional groups:
CO, C/C=C(\C)C, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.905

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Chemical structure download