Summary

IMPPAT Phytochemical identifier: IMPHY010780

Phytochemical name: Limonene oxide

Synonymous chemical names:
1,2-limonene epoxide, a limonene oxide, limonene epoxide, limonene mono-oxide, limonene oxide i, limonene oxide ii

External chemical identifiers:
CID:91496, ChEMBL:CHEMBL2268547, ChEBI:16431, SureChEMBL:SCHEMBL93297, MolPort-002-507-166

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Chemical structure information

SMILES:
CC(=C)C1CCC2(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

InChIKey:
CCEFMUBVSUDRLG-UHFFFAOYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

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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: 3.61

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Chemical structure download