Summary

IMPPAT Phytochemical identifier: IMPHY017956

Phytochemical name: Epoxygeranial

Synonymous chemical names:
epoxygeranial

Chemical structure information

SMILES:
O=C/C=C(/CCC=C1COC1)C

InChI:
InChI=1S/C10H14O2/c1-9(5-6-11)3-2-4-10-7-12-8-10/h4-6H,2-3,7-8H2,1H3/b9-5+

InChIKey:
WCLFRIOVCIUIIP-WEVVVXLNSA-N

DeepSMILES:
O=C/C=C/CCC=CCOC4)))))))C

Functional groups:
C/C(C)=C/C=O, CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1COC1

Scaffold Graph/Node level:
CC1COC1

Scaffold Graph level:
CC1CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.001

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Chemical structure download