Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000703

Phytochemical name: Lavandulyl acetate

Synonymous chemical names:
Lavandulyl acetate, (+/-)-, lavandulyl acetate, lavandulyl-acetate, (r)-lavandulyl acetate, lavandullyl acetate, Lavandulyl acetate, lavandulyl acetate

External chemical identifiers:
CID:CID_30247, FDASRS:OU6ZF37MOM, SureChEMBL:SCHEMBL132576

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Chemical structure information

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

InChI:
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3

InChIKey:
HYNGAVZPWWXQIU-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCC=C)C))CC=CC)C

Functional groups:
COC(C)=O, 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: 2.172

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Chemical structure download