Summary

IMPPAT Phytochemical identifier: IMPHY017330

Phytochemical name: P-Menth-1-en-9-yl acetate

Synonymous chemical names:
p-menth-1-en-9-yl acetate, p-menth-1-ene-9-yl acetate

External chemical identifiers:
CID:527144, ChEBI:172039, FDASRS:QLZ5AAU20V, SureChEMBL:SCHEMBL309490

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Chemical structure information

SMILES:
CC(=O)OCC(C1CCC(=CC1)C)C

InChI:
InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3

InChIKey:
QUHIXSUMNSRNNP-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCC=CC6))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Germacrane sesquiterpenoids, Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.177

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Chemical structure download