Summary

IMPPAT Phytochemical identifier: IMPHY017669

Phytochemical name: p-Menthan-8-yl acetate

Synonymous chemical names:
p-menthan-8-yl acetate, terpinyl acetate (cis-dihydro-alpha)

External chemical identifiers:
CID:6631, ZINC:ZINC000002041239, SureChEMBL:SCHEMBL1773678

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Chemical structure information

SMILES:
CC1CCC(CC1)C(OC(=O)C)(C)C

InChI:
InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3

InChIKey:
HBNHCGDYYBMKJN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6))COC=O)C)))C)C

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.081

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Chemical structure download