Summary

IMPPAT Phytochemical identifier: IMPHY017442

Phytochemical name: 2-(6-Methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl acetate

Synonymous chemical names:
epoxy-α-terpenyl acetate

External chemical identifiers:
CID:538935

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Chemical structure information

SMILES:
CC(=O)OC(C1CCC2(C(C1)O2)C)(C)C

InChI:
InChI=1S/C12H20O3/c1-8(13)14-11(2,3)9-5-6-12(4)10(7-9)15-12/h9-10H,5-7H2,1-4H3

InChIKey:
ZQUBQCGVEVKYNE-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCCC6)O3))C)))))C)C

Functional groups:
CC1OC1(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.607

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Chemical structure download