Summary

IMPPAT Phytochemical identifier: IMPHY002129

Phytochemical name: 2,2-Dimethyl-3-(3-methylenepent-4-enyl)oxirane

Synonymous chemical names:
epoxy-myrcene, myrcene epoxide, polymyrcene

External chemical identifiers:
CID:122371, SureChEMBL:SCHEMBL906570

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Chemical structure information

SMILES:
C=CC(=C)CCC1OC1(C)C

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

InChIKey:
DQGZGGZXMOFHLB-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CCCOC3C)C

Functional groups:
C=CC(=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: 3.389

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Chemical structure download