Summary

IMPPAT Phytochemical identifier: IMPHY009764

Phytochemical name: 2,10-Epoxypinane

Synonymous chemical names:
beta-pinene oxide, β-pinene oxide

External chemical identifiers:
CID:93046, SureChEMBL:SCHEMBL260525, MolPort-002-042-110

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Chemical structure information

SMILES:
CC1(C)C2CCC3(C1C2)CO3

InChI:
InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3

InChIKey:
OUXAABAEPHHZPC-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCC6C6))CO3

Functional groups:
CC1(C)CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2(CO2)C2CC1C2

Scaffold Graph/Node level:
C1CC2(CO2)C2CC1C2

Scaffold Graph level:
C1CC2(CC2)C2CC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 3.028

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Chemical structure download