Summary
IMPPAT Phytochemical identifier: IMPHY009832
Phytochemical name: Lavandulyl acetate
Synonymous chemical names:(r)-lavandulyl acetate, lavandullyl acetate, lavandulyl acetate, lavandulyl acetate, lavandulyl-acetate
External chemical identifiers:CID:30247, FDASRS:OU6ZF37MOM, SureChEMBL:SCHEMBL132576
Chemical structure information
SMILES:
CC(=O)OCC(C(=C)C)CC=C(C)CInChI:
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3InChIKey:
HYNGAVZPWWXQIU-UHFFFAOYSA-NDeepSMILES:
CC=O)OCCC=C)C))CC=CC)CFunctional groups:
C=C(C)C, 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: 2.172
Chemical structure download