NP-MRD: Showing NP-Card for (6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid (NP0178296)

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Record Information

Version

2.0

Created at

2022-09-03 16:15:55 UTC

Updated at

2022-09-03 16:15:56 UTC

NP-MRD ID

NP0178296

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid

Description

6'',7''-Dihydro-5',5'''-dicapsaicin belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 6'',7''-Dihydro-5',5'''-dicapsaicin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on 6'',7''-dihydro-5',5'''-dicapsaicin.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032218152D          

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M  END

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M  END


  Mrv1652309032218152D          

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   -5.0182    7.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2081    6.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381    6.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477    5.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    5.6582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975    5.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275    4.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1574    6.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6527    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    6.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029    6.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    7.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531    6.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932    7.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034    7.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232    8.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    4.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2081    4.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7482    4.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782    3.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0182    2.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7482    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381    1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2081    0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1126    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8284    2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0984    3.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9086    3.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1786    4.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    4.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8284    5.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782    5.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2883    5.6582    0.0000 O   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  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 23 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 41  2  0  0  0  0
 21 41  1  0  0  0  0
 41 42  1  0  0  0  0
 20 43  2  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0178296

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CN=C(O)CCCC\C=C\C(C)C)=CC(=C1O)C1=CC(CN=C(O)CCCCCCC(C)C)=CC(OC)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H54N2O6/c1-25(2)15-11-7-9-13-17-33(39)37-23-27-19-29(35(41)31(21-27)43-5)30-20-28(22-32(44-6)36(30)42)24-38-34(40)18-14-10-8-12-16-26(3)4/h11,15,19-22,25-26,41-42H,7-10,12-14,16-18,23-24H2,1-6H3,(H,37,39)(H,38,40)/b15-11+

> <INCHI_KEY>
VONRPUZNFPTEEM-RVDMUPIBSA-N

> <FORMULA>
C36H54N2O6

> <MOLECULAR_WEIGHT>
610.836

> <EXACT_MASS>
610.398187467

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
73.62527490563198

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E)-N-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid

> <JCHEM_LOGP>
8.673932671078875

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.1575201381819396

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.552764032418599

> <JCHEM_PKA_STRONGEST_BASIC>
4.016264016254894

> <JCHEM_POLAR_SURFACE_AREA>
124.10000000000001

> <JCHEM_REFRACTIVITY>
179.6398

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6E)-N-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.367  13.181   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -7.855  12.890   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -7.351  11.435   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.839  11.144   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   9.689   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.822   9.398   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -2.814  10.562   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -1.302  10.271   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.798   8.816   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.294  11.435   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.218  11.144   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.227  12.308   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.739  12.017   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.747  13.181   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.259  12.890   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.267  14.054   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.780  13.763   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.763  15.510   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.343   8.525   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -7.855   8.816   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.863   7.652   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -8.359   6.197   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -9.367   5.032   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.863   3.577   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -7.351   3.286   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -6.847   1.831   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -7.855   0.667   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.831   0.085   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.318  -0.206   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.310   0.958   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.798   0.667   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.210   1.831   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.722   1.540   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.731   2.704   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.227   0.085   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.880   5.323   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -11.384   6.779   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -12.896   7.070   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -13.400   8.525   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -10.376   7.943   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -10.880   9.398   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -8.359  10.271   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -9.871  10.562   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    5   20                                                       
CONECT   20   19   21   43                                                  
CONECT   21   20   22   41                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   37                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   23   38                                                       
CONECT   38   37   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38   21   42                                                  
CONECT   42   41                                                            
CONECT   43   20    3   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₅₄N₂O₆

Average Mass

610.8360 Da

Monoisotopic Mass

610.39819 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(CN=C(O)CCCC\C=C\C(C)C)=CC(=C1O)C1=CC(CN=C(O)CCCCCCC(C)C)=CC(OC)=C1O

InChI Identifier

InChI=1S/C36H54N2O6/c1-25(2)15-11-7-9-13-17-33(39)37-23-27-19-29(35(41)31(21-27)43-5)30-20-28(22-32(44-6)36(30)42)24-38-34(40)18-14-10-8-12-16-26(3)4/h11,15,19-22,25-26,41-42H,7-10,12-14,16-18,23-24H2,1-6H3,(H,37,39)(H,38,40)/b15-11+

InChI Key

VONRPUZNFPTEEM-RVDMUPIBSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Biphenyls and derivatives

Alternative Parents

Substituents

Biphenyl
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Phenol
Fatty acyl
Fatty amide
N-acyl-amine
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Ether
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monocarboxylic acid amide (CHEBI:65771 )
phenols (CHEBI:65771 )
biphenyls (CHEBI:65771 )
monomethoxybenzene (CHEBI:65771 )
capsaicinoid (CHEBI:65771 )

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

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

8659280

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10483873

PDB ID

Not Available

ChEBI ID

65771

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid (NP0178296)

MOL for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

3D MOL for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

3D SDF for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

3D-SDF for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

PDB for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

3D PDB for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

SMILES for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

INCHI for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

Structure for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)

3D Structure for NP0178296 ((6e)-n-[(2',6-dihydroxy-5'-{[(1-hydroxy-8-methylnonylidene)amino]methyl}-3',5-dimethoxy-[1,1'-biphenyl]-3-yl)methyl]-8-methylnon-6-enimidic acid)