Dataset

Piperine[2]

This dataset contains NMR spectra obtained for the sample containing Piperine

InChI	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+
SMILES	O=C(/C=C/C=C/C1=CC2=C(C=C1)OCO2)N1CCCCC1
InChI Key	MXXWOMGUGJBKIW-YPCIICBESA-N
Molecular Formula	C17H19NO3
Exact Mass	285.340 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p42.s1326.d5848
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5848
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
28821	ChEBI
PIPERINE	clinicaltrials
HY-N0144	MedChemExpress
2489	Guide to Pharmacology
ZINC000001529772	ZINC
PIPINE	CCDC
J50.666D	Nikkaji
DTXSID3021805	EPA CompTox Dashboard
LSM-42991	LINCS
AYR	PDBe
PIPERINE	rxnorm
J4.701E	Nikkaji
50148573	BindingDB
PIPERINE	DailyMed
CHEMBL43185	ChEMBL
C03882	KEGG Ligand
638024	PubChem
PD001540	ProbesDrugs
U71XL721QK	FDA SRS
SCHEMBL94058	SureChEMBL
14775491	PubChem: Thomson Pharma
94-62-2	ACToR
7780-20-3	ACToR
Piperine(1-Piperoylpiperidine)	Selleck
147030-08-8	ACToR
531025	eMolecules
20806	Brenda
HMDB0029377	Human Metabolome Database
28821	Rhea
CB1249813	ChemicalBook
CB61323379	ChemicalBook
piperine	DailyMed
MTBLC28821	Metabolights
DB12582	DrugBank
45695	Brenda
10016311	NMRShiftDB
MCULE-2161604269	Mcule
The data in this table is sourced from UniChem at EBI.