Summary

IMPPAT Phytochemical identifier: IMPHY009875

Phytochemical name: (E)-beta-Ocimene epoxide

Synonymous chemical names:
(e)-myroxide, myroxide

External chemical identifiers:
CID:6538431, FDASRS:X9NWB0464E, SureChEMBL:SCHEMBL1472146

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Chemical structure information

SMILES:
C=C/C(=C/CC1OC1(C)C)/C

InChI:
InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+

InChIKey:
LIMXJCIGROLRED-SOFGYWHQSA-N

DeepSMILES:
C=C/C=C/CCOC3C)C))))))/C

Functional groups:
C=C/C(C)=C/C, CC1OC1(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: 3.377

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Chemical structure download