Dataset

Piperine.noesy

This dataset contains NMR spectra obtained for the sample -Piperine date: 2005-06-23T07:18:24.000Z isFt: true name: Piperine/1 phc0: -126.0292 phc1: -6.8 type: NMR FID DECIM: 32 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: proton groupDelay: -1 temperature: 298 spectrumSize: 16384 baseFrequency: 399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 8 pulseSequence: zg spectralWidth: 10.0171826310288 numberOfPoints: 23 relaxationTime: 1 acquisitionTime: 0.002745600000000001 frequencyOffset: 1799.7840000134602 originFrequency: 399.953799784 pulseStrength90: 22727.272727272728 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2005-06-23T07:34:05.000Z isFt: true name: Piperine/2 phc0: -118.7103 phc1: 0 type: NMR FID DECIM: 6 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000024899999999999917 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: c13 groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56797 digitalFilter: 59.08333333333333 fieldStrength: 9.391505939358051 numberOfScans: 1024 pulseSequence: zgdc spectralWidth: 199.650185201374 numberOfPoints: 25 relaxationTime: 1 acquisitionTime: 0.000597599999999998 frequencyOffset: 9553.957150004066 originFrequency: 100.57752395715 pulseStrength90: 62500 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2005-06-23T08:24:24.000Z isFt: false name: Piperine/5 phc0: 184.7696,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: hsqc groupDelay: -1 temperature: 298.1 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56797 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: hsqcetgpsp spectralWidth: 10.0171826310288,150.023656401189 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0013728000000000004 frequencyOffset: 1799.7840000134602,7140.325869997355 originFrequency: 399.953799784,100.57511032587 pulseStrength90: 22321.428571428572 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2005-06-23T09:56:46.000Z isFt: false name: Piperine/4 phc0: -303.6713,89.17486 phc1: -16,-181 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,256 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 10.0171826310288,10.0161743998664 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00024960000000000005 frequencyOffset: 1799.7840000134602,1999.759999989692 originFrequency: 399.953799784,399.95399976 pulseStrength90: 22321.428571428572 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2005-06-23T08:18:35.000Z isFt: false name: Piperine/3 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 1 pulseSequence: cosygpqf spectralWidth: 10.0171826310288,10.0161794079311 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.0006240000000000001 frequencyOffset: 1799.7840000134602,1799.7840000134602 originFrequency: 399.953799784,399.953799784 pulseStrength90: 22321.428571428572 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,3 date: 2005-06-23T14:54:18.000Z isFt: false name: Piperine/6 phc0: 184.7696,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012480000000000002 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD Z8248/080 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56797 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 16 pulseSequence: hmbcetgpl2nd.ber spectralWidth: 10.0171826310288,179.956185032188 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00024960000000000005 frequencyOffset: 1799.7840000134602,9553.957150004066 originFrequency: 399.953799784,100.57752395715 pulseStrength90: 22321.428571428572 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s256.d1484
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1484
Version
Author Peter Spiteller
Maintainer
Language english
MetadataCreated 2024-04-22T16:10:13.065670
MetadataModified 2024-09-23T09:32:04.280672
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
    • Field Value
    Measurement Technique n
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080

    Temperature : 298 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : noesygpph

    Spectral Width : [10.0171826310288, 10.0161743998664]

    number of data points : 3 points

    relaxation time measurement : 2 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.