Summary

IMPPAT Phytochemical identifier: IMPHY006453

Phytochemical name: p-Coumaraldehyde

Synonymous chemical names:
p-hydroxycinnamaldehyde, trans-p-hydroxycinnamaldehyde

External chemical identifiers:
CID:641301, ChEMBL:CHEMBL431836, ChEBI:28353, ZINC:ZINC000001530240, SureChEMBL:SCHEMBL196960, MolPort-003-665-677

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Chemical structure information

SMILES:
O=C/C=C/c1ccc(cc1)O

InChI:
InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+

InChIKey:
CJXMVKYNVIGQBS-OWOJBTEDSA-N

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

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

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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: 1.333

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Chemical structure download