Summary

IMPPAT Phytochemical identifier: IMPHY015094

Phytochemical name: (+)-trans-Limonene oxide

Synonymous chemical names:
trans-limonene oxide

External chemical identifiers:
CID:449290, ChEBI:43812, ZINC:ZINC000004097365, FDASRS:8VUQ1B30IK, SureChEMBL:SCHEMBL2747634, MolPort-003-937-815

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@]2([C@@H](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+/m1/s1

InChIKey:
CCEFMUBVSUDRLG-BBBLOLIVSA-N

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

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