Summary

IMPPAT Phytochemical identifier: IMPHY005967

Phytochemical name: Linalyl hexanoate

Synonymous chemical names:
linalyl hexanoate

External chemical identifiers:
CID:564550, FDASRS:70M593F8B8, SureChEMBL:SCHEMBL874024

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Chemical structure information

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

InChI:
InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3

InChIKey:
ALKCLFLTXBBMMP-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=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: 1.804

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Chemical structure download