Summary

IMPPAT Phytochemical identifier: IMPHY006324

Phytochemical name: Linalyl propionate

Synonymous chemical names:
linalyl propanoate, linalyl propanoate c, linalyl propionate, linalylpropionate

External chemical identifiers:
CID:61098, ChEMBL:CHEMBL3186660, ChEBI:174062, FDASRS:BI845A018T, SureChEMBL:SCHEMBL538489, MolPort-002-507-363

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Chemical structure information

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

InChI:
InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

InChIKey:
WAQIIHCCEMGYKP-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCC=CC)C)))))C=C))C

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

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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: 2.192

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Chemical structure download