Summary

IMPPAT Phytochemical identifier: IMPHY014117

Phytochemical name: p-Menthan-3-one, 4,8-epoxy-, cis-

Synonymous chemical names:
cis-pulegone oxide

External chemical identifiers:
CID:6432045, ZINC:ZINC000001571664

---

Chemical structure information

SMILES:
C[C@@H]1CC[C@@]2(C(=O)C1)OC2(C)C

InChI:
InChI=1S/C10H16O2/c1-7-4-5-10(8(11)6-7)9(2,3)12-10/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChIKey:
OFUGTKAUAMKFPM-XCBNKYQSSA-N

DeepSMILES:
C[C@@H]CC[C@@]C=O)C6))OC3C)C

Functional groups:
CC(=O)[C@]1(C)OC1(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC12CO2

Scaffold Graph/Node level:
OC1CCCCC12CO2

Scaffold Graph level:
CC1CCCCC12CC2

---

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: 1.971

---

Chemical structure download