Summary

IMPPAT Phytochemical identifier: IMPHY017172

Phytochemical name: 8-Acetoxylinalool

Synonymous chemical names:
8-acetoxy linalool

External chemical identifiers:
CID:17755054, SureChEMBL:SCHEMBL10982919

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Chemical structure information

SMILES:
C=CC(CC/C=C(/COC(=O)C)C)(O)C

InChI:
InChI=1S/C12H20O3/c1-5-12(4,14)8-6-7-10(2)9-15-11(3)13/h5,7,14H,1,6,8-9H2,2-4H3/b10-7+

InChIKey:
BOJXRPGLMTUOEQ-JXMROGBWSA-N

DeepSMILES:
C=CCCC/C=C/COC=O)C))))C)))))O)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.711

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Chemical structure download