Summary

IMPPAT Phytochemical identifier: IMPHY006344

Phytochemical name: (S)-p-Mentha-1,8-dien-10-yl acetate

Synonymous chemical names:
1,8-p-menthadien-9-yl-acetate, limonen-10-yl acetate

External chemical identifiers:
CID:61781, SureChEMBL:SCHEMBL3505672

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Chemical structure information

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

InChI:
InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3

InChIKey:
BCTDJPZNMXPMIA-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=C)CCCC=CC6))C

Functional groups:
C=C(C)C, 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: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.27

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Chemical structure download