Summary

IMPPAT Phytochemical identifier: IMPHY017000

Phytochemical name: 2-Methyl-2-(4-methyl-3-cyclohexen-1-yl)oxirane

Synonymous chemical names:
8,9-limonene epoxide i, 8,9-limonene epoxide-i, 8,9-limonene-epoxide-i

External chemical identifiers:
CID:119634, SureChEMBL:SCHEMBL8582821

---

Chemical structure information

SMILES:
CC1=CCC(CC1)C1(C)CO1

InChI:
InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3

InChIKey:
PJGRMBOWSWHGDV-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CC)CO3

Functional groups:
CC1(C)CO1, CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC(C2CO2)CC1

Scaffold Graph/Node level:
C1CCC(C2CO2)CC1

Scaffold Graph level:
C1CCC(C2CC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 3.075

---

Chemical structure download