NP-MRD: Showing NP-Card for (2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid (NP0162735)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 21:12:05 UTC

Updated at

2022-09-02 21:12:06 UTC

NP-MRD ID

NP0162735

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid

Description

Piperovatine belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. (2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid is found in Piper callosum, Piper corcovadense, Piper frutescens, Piper ovatum, Piper piscatorum and Piper scutifolium. (2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid was first documented in 2015 (PMID: 26628019). Based on a literature review a small amount of articles have been published on Piperovatine (PMID: 34245362) (PMID: 30389024) (PMID: 30098356) (PMID: 27991959).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    7.4628   -0.4263    1.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401   -1.4626    1.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975   -1.2529    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827   -2.2517    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5432   -2.0668   -0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -0.8602   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505   -0.5749   -2.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -0.2627   -1.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713   -0.1925   -0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922   -0.1080    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094    0.2809    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    0.4115    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1963    0.1378    2.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8295    0.8009    1.1729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3189    1.1091   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8325    1.1068   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3961   -0.2297    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4748    2.1933    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    0.1467   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446   -0.0464   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1987   -0.7663    2.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0847   -0.1986    0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    0.4702    2.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -3.2155    0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -2.8538   -0.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257   -1.5334   -2.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    0.2002   -3.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3247    0.0228   -2.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -0.5736   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258   -0.3006    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    0.4975   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340    0.6672    3.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    2.1473   -0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.3586   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    1.2869   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6656   -0.8424    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6207   -0.8487   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3417   -0.1954    0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1431    2.2143    1.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3505    3.2102    0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5724    1.9979    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    1.0834   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    0.7196    0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
  6 19  1  0
 19 20  2  0
 20  3  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  4 24  1  0
  5 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 13 32  1  0
 15 33  1  0
 15 34  1  0
 16 35  1  0
 17 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 18 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
M  END


  Mrv1652309022223122D          

 20 20  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0162735

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C\C=C\C=C\C(O)=NCC(C)C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+

> <INCHI_KEY>
IHRWUVSXOBLEJV-DVBIZMGNSA-N

> <FORMULA>
C17H23NO2

> <MOLECULAR_WEIGHT>
273.376

> <EXACT_MASS>
273.172878985

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.084811105125986

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienimidic acid

> <ALOGPS_LOGP>
4.48

> <JCHEM_LOGP>
3.7588236566039384

> <ALOGPS_LOGS>
-5.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.1588580744466395

> <JCHEM_PKA_STRONGEST_BASIC>
7.116016060059151

> <JCHEM_POLAR_SURFACE_AREA>
41.82

> <JCHEM_REFRACTIVITY>
85.42750000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.00e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       5.335  -9.240   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   19                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    6   20                                                       
CONECT   20   19    3                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

View in JSmol

Synonyms

Value	Source
N-Isobutyl-6-(4-methoxyphenyl)sorbamide	MeSH

Chemical Formula

C₁₇H₂₃NO₂

Average Mass

273.3760 Da

Monoisotopic Mass

273.17288 Da

IUPAC Name

(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienimidic acid

Traditional Name

(2E,4E)-6-(4-methoxyphenyl)-N-(2-methylpropyl)hexa-2,4-dienimidic acid

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C\C=C\C=C\C(O)=NCC(C)C)C=C1

InChI Identifier

InChI=1S/C17H23NO2/c1-14(2)13-18-17(19)8-6-4-5-7-15-9-11-16(20-3)12-10-15/h4-6,8-12,14H,7,13H2,1-3H3,(H,18,19)/b5-4+,8-6+

InChI Key

IHRWUVSXOBLEJV-DVBIZMGNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Piper callosum	LOTUS Database	35616633
Piper corcovadense	LOTUS Database	35616633
Piper frutescens	LOTUS Database	35616633
Piper ovatum	LOTUS Database	35616633
Piper piscatorum	LOTUS Database	35616633
Piper scutifolium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenoxy compound
Anisole
Methoxybenzene
Alkyl aryl ether
Monocyclic benzene moiety
N-acyl-amine
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Ether
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.48	ALOGPS
logP	3.76	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	5.16	ChemAxon
pKa (Strongest Basic)	7.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.82 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	85.43 m³·mol⁻¹	ChemAxon
Polarizability	32.08 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4524157

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5374352

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Peixoto JF, Ramos YJ, de Lima Moreira D, Alves CR, Goncalves-Oliveira LF: Potential of Piper spp. as a source of new compounds for the leishmaniases treatment. Parasitol Res. 2021 Aug;120(8):2731-2747. doi: 10.1007/s00436-021-07199-4. Epub 2021 Jul 10. [PubMed:34245362 ]
Fernandez CMM, Lorenzetti FB, Bernuci KZ, Iwanaga CC, Bortolucci WC, Romagnolo MB, Simoes MR, Cortez DAG, Scodro RBL, Gazim ZC, Dias Filho BP: Larvicidal potential of piperovatine in the control of cattle tick. Vet Parasitol. 2018 Nov 15;263:5-9. doi: 10.1016/j.vetpar.2018.10.002. Epub 2018 Oct 4. [PubMed:30389024 ]
Suzuki T, Yamato S: Mode of action of piperovatine, an insecticidal piperamide isolated from Piper piscatorum (Piperaceae), against voltage-gated sodium channels. Neurotoxicology. 2018 Dec;69:288-295. doi: 10.1016/j.neuro.2018.07.021. Epub 2018 Aug 8. [PubMed:30098356 ]
Lopez KS, Marques AM, Moreira DL, Velozo LS, Sudo RT, Zapata-Sudo G, Guimaraes EF, Kaplan MA: Local Anesthetic Activity from Extracts, Fractions and Pure Compounds from the Roots of Ottonia anisum Spreng. (Piperaceae). An Acad Bras Cienc. 2016 Oct-Dec;88(4):2229-2237. doi: 10.1590/0001-3765201620150821. [PubMed:27991959 ]
Cunico MM, Trebien HA, Galetti FC, Miguel OG, Miguel MD, Auer CG, Silva CL, de Souza AO: Investigation of local anesthetic and antimycobacterial activity of Ottonia martiana Miq. (Piperaceae). An Acad Bras Cienc. 2015 Oct-Dec;87(4):1991-2000. doi: 10.1590/0001-3765201520140090. Epub 2015 Nov 27. [PubMed:26628019 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid (NP0162735)

MOL for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

3D MOL for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

3D SDF for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

3D-SDF for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

PDB for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

3D PDB for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

SMILES for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

INCHI for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

Structure for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)

3D Structure for NP0162735 ((2e,4e)-6-(4-methoxyphenyl)-n-(2-methylpropyl)hexa-2,4-dienimidic acid)