Summary

IMPPAT Phytochemical identifier: IMPHY017464

Phytochemical name: 4-Isopropenylcyclohexanone

Synonymous chemical names:
4-isopropenylcyclohexanone

External chemical identifiers:
CID:549291, SureChEMBL:SCHEMBL8486388

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Chemical structure information

SMILES:
CC(=C)C1CCC(=O)CC1

InChI:
InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h8H,1,3-6H2,2H3

InChIKey:
YQMUZRNPCVSBEH-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCC=O)CC6

Functional groups:
C=C(C)C, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.582

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Chemical structure download