Summary

IMPPAT Phytochemical identifier: IMPHY016891

Phytochemical name: (Z)-3-methoxy-3-phenyl-2-propenal

Synonymous chemical names:
β-methoxycinnamaldehyde

External chemical identifiers:
CID:6509579, SureChEMBL:SCHEMBL17942865

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Chemical structure information

SMILES:
CO/C(=CC=O)/c1ccccc1

InChI:
InChI=1S/C10H10O2/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-

InChIKey:
WKMQLZRKOBTONZ-YFHOEESVSA-N

DeepSMILES:
CO/C=CC=O)))/cccccc6

Functional groups:
c/C(=C/C=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamaldehydes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.627

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Chemical structure download