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
Chemical structure information
SMILES:
CC(=O)NCCc1ccc(cc1)OInChI:
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-NDeepSMILES:
CC=O)NCCcccccc6))OFunctional groups:
CNC(C)=O, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire 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
Chemical structure download