Summary

IMPPAT Phytochemical identifier: IMPHY011381

Phytochemical name: (4S)-1-Methyl-4-(prop-1-EN-2-YL)-7-oxabicyclo[4.1.0]heptane

Synonymous chemical names:
1,2-epoxy-p-menth-8-ene, limonene oxide

External chemical identifiers:
CID:10953718, ChEBI:82206, SureChEMBL:SCHEMBL15580358

---

Chemical structure information

SMILES:
CC(=C)[C@H]1CCC2(C(C1)O2)C

InChI:
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1

InChIKey:
CCEFMUBVSUDRLG-IDKOKCKLSA-N

DeepSMILES:
CC=C)[C@H]CCCCC6)O3))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

---

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: 3.61

---

Chemical structure download