Summary

IMPPAT Phytochemical identifier: IMPHY017197

Phytochemical name: alpha-Methyl-4-methylenecyclohexaneacetaldehyde

Synonymous chemical names:
menthenal isomer

External chemical identifiers:
CID:20242350, SureChEMBL:SCHEMBL714970

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h7,9-10H,1,3-6H2,2H3

InChIKey:
JNRATHVXQNNAQX-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC=C)CC6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Monocyclic monoterpenoids

NP-Likeness score: 2.056

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Chemical structure download