IMPPAT Phytochemical information:
Piperine
Summary
IMPPAT Phytochemical identifier: IMPHY004192
Phytochemical name: Piperine
Synonymous chemical names:piperin, piperine
External chemical identifiers:CID:638024, ChEMBL:CHEMBL43185, ChEBI:28821, ZINC:ZINC000001529772, FDASRS:U71XL721QK, SureChEMBL:SCHEMBL94058, MolPort-001-759-210
Chemical structure information
SMILES:
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2InChI:
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+InChIKey:
MXXWOMGUGJBKIW-YPCIICBESA-NDeepSMILES:
O=CNCCCCC6))))))/C=C/C=C/cccccc6)OCO5Functional groups:
c/C=C/C=C/C(=O)N(C)C, c1cOCO1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1Scaffold Graph/Node level:
OC(CCCCC1CCC2OCOC2C1)N1CCCCC1Scaffold Graph level:
CC(CCCCC1CCC2CCCC2C1)C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesNP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Piperidine alkaloids
NP-Likeness score: 0.125
Chemical structure download