Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001152

Phytochemical name: Piperitenone oxide*

Synonymous chemical names:
piperitenone oxide*, Piperitenone oxide, piperitenone oxide, pipertone oxide, pipertitenone oxide, piperitenone oxide, piperitenoneoxide

External chemical identifiers:
CID:CID_61942, SureChEMBL:SCHEMBL3504077

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Chemical structure information

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

InChI:
InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3

InChIKey:
AKASWINDKIEEBO-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC6=O))O3))C)))))C

Functional groups:
CC(C)=C1CCC2(C)OC2C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2OC2C1=O

Scaffold Graph/Node level:
CC1CCC2OC2C1O

Scaffold Graph level:
CC1CCC2CC2C1C

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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

NP-Likeness score: 3.29

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Chemical structure download