Summary

IMPPAT Phytochemical identifier: IMPHY008853

Phytochemical name: Santenone

Synonymous chemical names:
santenone

Chemical structure information

SMILES:
O=C1CC2C(C1(C)CC2)C

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

InChIKey:
BDRPBIDNZZQJOI-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C)CC5)))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: Camphane monoterpenoids

NP-Likeness score: 2.964

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Chemical structure download