Summary

IMPPAT Phytochemical identifier: IMPHY012058

Phytochemical name: Linalool

Synonymous chemical names:
1inalool, 23 linalool, linalol, linalool, linalool*, linalool+, linlool, linolool

External chemical identifiers:
CID:6549, ChEMBL:CHEMBL25306, ChEBI:17580, FDASRS:D81QY6I88E, SureChEMBL:SCHEMBL20316, MolPort-001-783-101

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Chemical structure information

SMILES:
C=CC(CCC=C(C)C)(O)C

InChI:
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3

InChIKey:
CDOSHBSSFJOMGT-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CC)C)))))O)C

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

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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: 3.045

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Chemical structure download