Summary
IMPPAT Phytochemical identifier: IMPHY014161
Phytochemical name: Coumaperine
Synonymous chemical names:n-5-(4-hydroxy-phenyl)-2e,4e-pentadienoylpiperidine
External chemical identifiers:CID:10131321, ChEMBL:CHEMBL4061010, ChEBI:169029, FDASRS:6M586HW0PD, SureChEMBL:SCHEMBL4919407
Chemical structure information
SMILES:
Oc1ccc(cc1)/C=C/C=C/C(=O)N1CCCCC1InChI:
InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2+,7-3+InChIKey:
QDAARMDLSCDBFU-YPCIICBESA-NDeepSMILES:
Occcccc6))/C=C/C=C/C=O)NCCCCC6Functional groups:
c/C=C/C=C/C(=O)N(C)C, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(C=CC=Cc1ccccc1)N1CCCCC1Scaffold Graph/Node level:
OC(CCCCC1CCCCC1)N1CCCCC1Scaffold Graph level:
CC(CCCCC1CCCCC1)C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Piperidines
ClassyFire Subclass: N-acylpiperidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Piperidine alkaloids
NP-Likeness score: 0.298
Chemical structure download
