Summary

IMPPAT Phytochemical identifier: IMPHY017772

Phytochemical name: gamma-Terpinyl acetate

Synonymous chemical names:
γ-terpinyl acetate

External chemical identifiers:
CID:82480, ChEBI:32346, FDASRS:9W5WSA0D5Q, SureChEMBL:SCHEMBL16177472

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Chemical structure information

SMILES:
CC(=O)OC1(C)CCC(=C(C)C)CC1

InChI:
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3

InChIKey:
ZKKBZSOYCMSYRW-UHFFFAOYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: 2.171

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Chemical structure download