Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001290

Phytochemical name: Moupinamide

Synonymous chemical names:
moupinamide, Moupinamide, n-trans-feruloyltyramine, feruloyltyramine, n-feruloyltyramine, feruloyltyramines, feruloylthyramine, Feruloyltyramine, n-trans-feruloyl tyramine, Feruloyltyramine, N-trans, Feruloyltyramine, N-trans-, n-trans- feruloyl tyramine

External chemical identifiers:
CID:CID_5280537, ChEMBL:CHEMBL206555, ChEBI:CHEBI:17818, ZINC:ZINC000000901461, SureChEMBL:SCHEMBL1675910, MolPort-001-740-847

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Chemical structure information

SMILES:
COc1cc(/C=C/C(=O)NCCc2ccc(cc2)O)ccc1O

InChI:
InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

InChIKey:
NPNNKDMSXVRADT-WEVVVXLNSA-N

DeepSMILES:
COccc/C=C/C=O)NCCcccccc6))O)))))))))))ccc6O

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

Link to spectral information:
MSBNK-MSSJ-MSJ00001, MSBNK-MSSJ-MSJ00002

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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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

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: 0.324

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Chemical structure download