Summary

IMPPAT Phytochemical identifier: IMPHY016373

Phytochemical name: 3-Methoxycinnamaldehyde

Synonymous chemical names:
3-methoxycinnamaldehyde

External chemical identifiers:
CID:5373819, ZINC:ZINC000021304297, SureChEMBL:SCHEMBL1308087, MolPort-008-644-204

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Chemical structure information

SMILES:
O=C/C=C/c1cccc(c1)OC

InChI:
InChI=1S/C10H10O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2-8H,1H3/b5-3+

InChIKey:
XHYAQFCRAQUBTD-HWKANZROSA-N

DeepSMILES:
O=C/C=C/cccccc6)OC

Functional groups:
c/C=C/C=O, cOC

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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: 0.468

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Chemical structure download