Summary

IMPPAT Phytochemical identifier: IMPHY017292

Phytochemical name: 2-Methoxy-3-phenylprop-2-enal

Synonymous chemical names:
methoxy-cinnamaldehyde

External chemical identifiers:
CID:4452795

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Chemical structure information

SMILES:
COC(=Cc1ccccc1)C=O

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

InChIKey:
KPNHONAEPLEAJL-UHFFFAOYSA-N

DeepSMILES:
COC=Ccccccc6)))))))C=O

Functional groups:
cC=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 Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.345

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Chemical structure download