Summary
IMPPAT Phytochemical identifier: IMPHY007067
Phytochemical name: Linalyl acetate
Synonymous chemical names:(-)-linalyl-acetate, linaloo acetate, linalool acetate, linalool and its acetate, linalyl acetate, linalyl acetate*, linalyl acétate, linalyl-acetate, linalylacetate, linayl acetate, liýnalyl acetate
External chemical identifiers:CID:8294, ChEMBL:CHEMBL502773, ChEBI:78333, FDASRS:5K47SSQ51G, SureChEMBL:SCHEMBL58028, MolPort-001-783-102
Chemical structure information
SMILES:
C=CC(OC(=O)C)(CCC=C(C)C)CInChI:
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3InChIKey:
UWKAYLJWKGQEPM-UHFFFAOYSA-NDeepSMILES:
C=CCOC=O)C)))CCC=CC)C)))))CFunctional groups:
C=CC, CC=C(C)C, COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Monoterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Acyclic monoterpenoids
NP-Likeness score: 2.504
Chemical structure download