Summary

IMPPAT Phytochemical identifier: IMPHY012290

Phytochemical name: cis-Piperitone oxide

Synonymous chemical names:
cis-piperitone epoxide, cis-piperitone oxide

External chemical identifiers:
CID:6430796, ZINC:ZINC000005647940, FDASRS:N335VVZ43U, SureChEMBL:SCHEMBL909589

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@]2([C@@H](C1=O)O2)C)C

InChI:
InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h6-7,9H,4-5H2,1-3H3/t7-,9+,10-/m0/s1

InChIKey:
IAFONZHDZMCORS-SFGNSQDASA-N

DeepSMILES:
CC[C@@H]CC[C@][C@@H]C6=O))O3))C)))))C

Functional groups:
C[C@]1(C)O[C@@H]1C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2OC12

Scaffold Graph/Node level:
OC1CCCC2OC12

Scaffold Graph level:
CC1CCCC2CC12

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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: 3.039

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Chemical structure download