Moupinamide

Common Name

Moupinamide Description

Moupinamide is found in eggplant. Moupinamide is an alkaloid from Piper nigrumMoupinamide belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29365 (Moupinamide)

Synonyms

Value Source trans-N-FerlioyltyramineChEBI (2,3)trans-N-(P-Hydroxyphenethyl)ferliamideHMDB FerlioyltyramineHMDB N-FerlioyltyramineHMDB N-trans-FerlioyltyramineHMDB Ferlioyltyramine, (Z)-isomerMeSH Ferlioyltyramine, (e)-isomerMeSH

Chemical Formlia

C18H19NO4 Average Molecliar Weight

313.3478 Monoisotopic Molecliar Weight

313.131408101 IUPAC Name

(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide Traditional Name

N-ferlioyltyramine CAS Registry Number

66648-43-9 SMILES

COC1=CC(C=CC(=O)NCCC2=CC=C(O)C=C2)=CC=C1O

InChI Identifier

InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

InChI Key

NPNNKDMSXVRADT-WEVVVXLNSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Phenols Direct Parent

Methoxyphenols Alternative Parents

  • Styrenes
  • Phenoxy compounds
  • Methoxybenzenes
  • Anisoles
  • Alkyl aryl ethers
  • 1-hydroxy-2-unsubstituted benzenoids
  • Propargyl-type 1,3-dipolar organic compounds
  • Carboximidic acids
  • Organopnictogen compounds
  • Organonitrogen compounds
  • Hydrocarbon derivatives
  • Substituents

  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Styrene
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Carboximidic acid
  • Carboximidic acid derivative
  • Ether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
  • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

  • tyramines (CHEBI:17818 )
  • Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting Point144.5 – 145 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.013 mg/mLALOGPS logP2.46ALOGPS logP2.8ChemAxon logS-4.4ALOGPS pKa (Strongest Acidic)9.35ChemAxon pKa (Strongest Basic)1.21ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area78.79 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity89.57 m3·mol-1ChemAxon Polarizability34.15 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QFT , negativesplash10-03di-0509000000-7a8a88d076bfbf1cf48cView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – , positivesplash10-00ba-1900000000-1acd727ab1a27d74943cView in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000432 KNApSAcK ID

    C00025334 Chemspider ID

    4444168 KEGG Compound ID

    C02717 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29365 Metagene Link

    HMDB29365 METLIN ID

    Not Available PubChem Compound

    5280537 PDB ID

    Not Available ChEBI ID

    17818

    Product: Cyproconazole

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 25837696

    Moupinamide

    Common Name

    Moupinamide Description

    Moupinamide is found in eggplant. Moupinamide is an alkaloid from Piper nigrumMoupinamide belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Structure

    MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

    Structure for HMDB29365 (Moupinamide)

    Synonyms

    Value Source trans-N-FerlioyltyramineChEBI (2,3)trans-N-(P-Hydroxyphenethyl)ferliamideHMDB FerlioyltyramineHMDB N-FerlioyltyramineHMDB N-trans-FerlioyltyramineHMDB Ferlioyltyramine, (Z)-isomerMeSH Ferlioyltyramine, (e)-isomerMeSH

    Chemical Formlia

    C18H19NO4 Average Molecliar Weight

    313.3478 Monoisotopic Molecliar Weight

    313.131408101 IUPAC Name

    (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide Traditional Name

    N-ferlioyltyramine CAS Registry Number

    66648-43-9 SMILES

    COC1=CC(C=CC(=O)NCCC2=CC=C(O)C=C2)=CC=C1O

    InChI Identifier

    InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

    InChI Key

    NPNNKDMSXVRADT-WEVVVXLNSA-N Chemical Taxonomy Description

    This compound belongs to the class of chemical entities known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Kingdom

    Chemical entities Super Class

    Organic compounds Class

    Benzenoids Sub Class

    Phenols Direct Parent

    Methoxyphenols Alternative Parents

  • Styrenes
  • Phenoxy compounds
  • Methoxybenzenes
  • Anisoles
  • Alkyl aryl ethers
  • 1-hydroxy-2-unsubstituted benzenoids
  • Propargyl-type 1,3-dipolar organic compounds
  • Carboximidic acids
  • Organopnictogen compounds
  • Organonitrogen compounds
  • Hydrocarbon derivatives
  • Substituents

  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Styrene
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Carboximidic acid
  • Carboximidic acid derivative
  • Ether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
  • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

  • tyramines (CHEBI:17818 )
  • Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting Point144.5 – 145 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.013 mg/mLALOGPS logP2.46ALOGPS logP2.8ChemAxon logS-4.4ALOGPS pKa (Strongest Acidic)9.35ChemAxon pKa (Strongest Basic)1.21ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area78.79 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity89.57 m3·mol-1ChemAxon Polarizability34.15 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QFT , negativesplash10-03di-0509000000-7a8a88d076bfbf1cf48cView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – , positivesplash10-00ba-1900000000-1acd727ab1a27d74943cView in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000432 KNApSAcK ID

    C00025334 Chemspider ID

    4444168 KEGG Compound ID

    C02717 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29365 Metagene Link

    HMDB29365 METLIN ID

    Not Available PubChem Compound

    5280537 PDB ID

    Not Available ChEBI ID

    17818

    Product: Cyproconazole

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 25837696