Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003215

Phytochemical name: Perillaldehyde

Synonymous chemical names:
perilla aldehyde, perillyl aldehyde, perillylaldehyde, Perillaldehyde, perilla aldehyde, perillaldehyde

External chemical identifiers:
CID:CID_16441, ChEMBL:CHEMBL469537, ChEBI:CHEBI:15421, FDASRS:6EQL0XA86G, SureChEMBL:SCHEMBL221797

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Chemical structure information

SMILES:
O=CC1=CCC(CC1)C(=C)C

InChI:
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

InChIKey:
RUMOYJJNUMEFDD-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCCC6))C=C)C

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

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.44

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Chemical structure download