Summary

IMPPAT Phytochemical identifier: IMPHY007949

Phytochemical name: Limonene dioxide

Synonymous chemical names:
dipentene oxide, limonene diepoxide, limonene dioxide

External chemical identifiers:
CID:232703, ChEMBL:CHEMBL1880461, FDASRS:M6TUW5WEJ9, SureChEMBL:SCHEMBL215026

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Chemical structure information

SMILES:
CC1(OC1)C1CCC2(C(C1)O2)C

InChI:
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3

InChIKey:
RBHIUNHSNSQJNG-UHFFFAOYSA-N

DeepSMILES:
CCOC3))CCCCCC6)O3))C

Functional groups:
CC1(C)CO1, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2OC2CC1C1CO1

Scaffold Graph/Node level:
C1CC2OC2CC1C1CO1

Scaffold Graph level:
C1CC1C1CCC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 3.318

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Chemical structure download