Summary

IMPPAT Phytochemical identifier: IMPHY009719

Phytochemical name: 3,3-Dimethylbicyclo[2.2.1]heptan-2-one

Synonymous chemical names:
camphenilone

External chemical identifiers:
CID:93073, ChEBI:132827, SureChEMBL:SCHEMBL14721197, MolPort-006-120-170

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Chemical structure information

SMILES:
O=C1C2CCC(C1(C)C)C2

InChI:
InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3

InChIKey:
ZYPYEBYNXWUCEA-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6C)C))C5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC1C2

Scaffold Graph/Node level:
OC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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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: Fenchane monoterpenoids

NP-Likeness score: 1.895

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Chemical structure download