Summary

IMPPAT Phytochemical identifier: IMPHY015427

Phytochemical name: (E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-ol

Synonymous chemical names:
6,7-epoxygeraniol

External chemical identifiers:
CID:11126706, SureChEMBL:SCHEMBL9210572

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Chemical structure information

SMILES:
OC/C=C(/CCC1OC1(C)C)C

InChI:
InChI=1S/C10H18O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h6,9,11H,4-5,7H2,1-3H3/b8-6+

InChIKey:
SWYACUITMIHYDS-SOFGYWHQSA-N

DeepSMILES:
OC/C=C/CCCOC3C)C))))))C

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

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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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.379

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Chemical structure download