Summary

IMPPAT Phytochemical identifier: IMPHY009828

Phytochemical name: trans-Epoxyocimene

Synonymous chemical names:
(e)-epoxy-ocimene, (e)-ocimene oxide, epoxyocimen, trans-, trans-epoxy-ocimene

External chemical identifiers:
CID:6429141

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1

InChIKey:
DUBZPCHJCIFTKB-VHSXEESVSA-N

DeepSMILES:
C=C[C@@]C)O[C@H]3CC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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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: Acyclic monoterpenoids

NP-Likeness score: 3.262

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Chemical structure download