| 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 |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 25837696