Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006895

Phytochemical name: 3-Cyclohexene-1-carboxaldehyde

Synonymous chemical names:
3-cyclohexen-1-carboxaldehyde, 3-cyclohexene-1-carboxaldehyde

External chemical identifiers:
CID:CID_7508, ChEMBL:CHEMBL3188123, FDASRS:GAK9539347, SureChEMBL:SCHEMBL42869, MolPort-001-791-806

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Chemical structure information

SMILES:
O=CC1CCC=CC1

InChI:
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2

InChIKey:
DCFDVJPDXYGCOK-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC=CC6

Functional groups:
CC=O, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.19

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Chemical structure download