Summary

IMPPAT Phytochemical identifier: IMPHY017948

Phytochemical name: 3,9-Epoxy-p-menta-1,8(10)-diene

Synonymous chemical names:
3,9-epoxy-p-menta-1,8(10)-diene, 3,9-epoxy-p-mentha-1,8(10)-diene

Chemical structure information

SMILES:
C=C1CCC2C(C1)OCC2=C

InChI:
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h9-10H,1-6H2

InChIKey:
XPDXSIYURCKZBY-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6)OCC5=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(=C)COC2C1

Scaffold Graph/Node level:
CC1CCC2C(C)COC2C1

Scaffold Graph level:
CC1CCC2C(C)CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.422

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Chemical structure download