Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011928

Phytochemical name: Linalool propanoate

Synonymous chemical names:
linalool propaonaote, linalool propanoate

External chemical identifiers:
CID:CID_6431132

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Chemical structure information

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

InChI:
InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7H,2-3,6,8-11H2,1,4-5H3

InChIKey:
QBSAYICQMXQGNX-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCCC=C)C)))))C=C))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.469

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Chemical structure download