Summary

IMPPAT Phytochemical identifier: IMPHY017004

Phytochemical name: N-Acetyltyramine

Synonymous chemical names:
n-acetyltyramine

External chemical identifiers:
CID:121051, ChEMBL:CHEMBL152117, ChEBI:125610, ZINC:ZINC000005160274, FDASRS:BZB50E9QVY, SureChEMBL:SCHEMBL734658, MolPort-001-739-408

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Chemical structure information

SMILES:
CC(=O)NCCc1ccc(cc1)O

InChI:
InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)

InChIKey:
ATDWJOOPFDQZNK-UHFFFAOYSA-N

DeepSMILES:
CC=O)NCCcccccc6))O

Functional groups:
CNC(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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: -0.115

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Chemical structure download