Summary

IMPPAT Phytochemical identifier: IMPHY011878

Phytochemical name: n-cis-Feruloyltyramine

Synonymous chemical names:
feruloyltyramine, n-cis, n-cis feruloyltyramine, n-cis-feruloyltyramine, n-cis-feruloyltyramines

External chemical identifiers:
CID:6440659, ChEMBL:CHEMBL451720, ZINC:ZINC000013533861, SureChEMBL:SCHEMBL17693085

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Chemical structure information

SMILES:
COc1cc(/C=CC(=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-UITAMQMPSA-N

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

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

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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: 0.324

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Chemical structure download