Summary

IMPPAT Phytochemical identifier: IMPHY016883

Phytochemical name: 7,7-Dimethylbicyclo[2.2.1]heptan-3-one

Synonymous chemical names:
α-fenchocamphorone

External chemical identifiers:
CID:550030, SureChEMBL:SCHEMBL83587

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Chemical structure information

SMILES:
O=C1CC2C(C1CC2)(C)C

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

InChIKey:
DOCLMTQMWGMALI-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5CC5)))C)C

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: Pinane monoterpenoids

NP-Likeness score: 2.364

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Chemical structure download