Summary

IMPPAT Phytochemical identifier: IMPHY005970

Phytochemical name: p-Coumaroyltyramine

Synonymous chemical names:
n-(p-trans-coumaroyl)tyramine, n-p-coumaroyltyramine, n-p-hydroxy-beta-phenylethyl-p-hydroxy-trans-cinnamamide, n-trans-coumaroyltyramine, n-trans-p-coumaroyltyramine, p-coumaroyltyramine, paprazine

External chemical identifiers:
CID:5372945, ChEMBL:CHEMBL64286, ChEBI:65665, ZINC:ZINC000001662779, SureChEMBL:SCHEMBL2512193, MolPort-001-741-837

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Chemical structure information

SMILES:
O=C(/C=C/c1ccc(cc1)O)NCCc1ccc(cc1)O

InChI:
InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+

InChIKey:
RXGUTQNKCXHALN-BJMVGYQFSA-N

DeepSMILES:
O=C/C=C/cccccc6))O)))))))NCCcccccc6))O

Functional groups:
c/C=C/C(=O)NC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acid amides

NP-Likeness score: 0.06

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Chemical structure download