NP-MRD: Showing NP-Card for 1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one (NP0298624)

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Record Information

Version

2.0

Created at

2022-09-10 09:59:44 UTC

Updated at

2022-09-10 09:59:45 UTC

NP-MRD ID

NP0298624

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

Description

1-[3-(6-Oxo-1,2,3,6-tetrahydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-1,2,5,6-tetrahydropyridin-2-one belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one is found in Piper macropiper and Piper tuberculatum. 1-[3-(6-Oxo-1,2,3,6-tetrahydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-1,2,5,6-tetrahydropyridin-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251506092D          

 46 50  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004251506092D          

 46 50  0  0  0  0            999 V2000
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   -0.5052    1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -1.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -2.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -4.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511   -4.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5636   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511   -2.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5636   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9341   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -2.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -1.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5532   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5532   -1.9417    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 15 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
 26 37  1  0  0  0  0
 14 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 40 45  1  0  0  0  0
 45 46  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0298624

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC(OC)=C1OC)C1C(C(C1C(=O)N1CCC=CC1=O)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)N1CCC=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C34H38N2O10/c1-41-21-15-19(16-22(42-2)31(21)45-5)27-29(33(39)35-13-9-7-11-25(35)37)28(30(27)34(40)36-14-10-8-12-26(36)38)20-17-23(43-3)32(46-6)24(18-20)44-4/h7-8,11-12,15-18,27-30H,9-10,13-14H2,1-6H3

> <INCHI_KEY>
ACSFIAACPMCYMR-UHFFFAOYSA-N

> <FORMULA>
C34H38N2O10

> <MOLECULAR_WEIGHT>
634.682

> <EXACT_MASS>
634.252645432

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
65.90273799416688

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[3-(6-oxo-1,2,3,6-tetrahydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-1,2,5,6-tetrahydropyridin-2-one

> <ALOGPS_LOGP>
3.93

> <JCHEM_LOGP>
2.2688559833333355

> <ALOGPS_LOGS>
-5.12

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.763742135109307

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.16168214377683

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1309207790005744

> <JCHEM_POLAR_SURFACE_AREA>
130.14000000000001

> <JCHEM_REFRACTIVITY>
168.69899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.77e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       1.724   3.624   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.724   2.084   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.391   1.314   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.391  -0.226   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.943  -0.996   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.277  -0.226   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.277   1.314   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.610   2.084   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.610   3.624   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.943   2.084   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.943   3.624   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.277   4.394   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.943  -2.536   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.146  -3.624   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.943  -4.713   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.032  -3.624   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.572  -3.624   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.342  -2.291   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0      -4.342  -4.958   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -3.572  -6.292   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.342  -7.626   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.882  -7.626   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.652  -6.292   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.882  -4.958   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.652  -3.624   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.943  -6.253   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.391  -7.023   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.391  -8.563   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.724  -9.333   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.724 -10.873   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.943  -9.333   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.943 -10.873   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.391 -11.643   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.277  -8.563   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -3.610  -9.333   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -4.944  -8.563   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.277  -7.023   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.686  -3.624   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.456  -4.958   0.000  0.00  0.00           O+0
HETATM   40  N   UNK     0       2.456  -2.291   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0       1.686  -0.957   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.456   0.377   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.996   0.377   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.766  -0.957   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       3.996  -2.291   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       4.766  -3.624   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    5   14   16                                                  
CONECT   14   13   15   38                                                  
CONECT   15   14   16   26                                                  
CONECT   16   15   13   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19   25                                                  
CONECT   25   24                                                            
CONECT   26   15   27   37                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   26                                                       
CONECT   38   14   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   40   46                                                  
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₈N₂O₁₀

Average Mass

634.6820 Da

Monoisotopic Mass

634.25265 Da

IUPAC Name

1-[3-(6-oxo-1,2,3,6-tetrahydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-1,2,5,6-tetrahydropyridin-2-one

Traditional Name

1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC(OC)=C1OC)C1C(C(C1C(=O)N1CCC=CC1=O)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)N1CCC=CC1=O

InChI Identifier

InChI=1S/C34H38N2O10/c1-41-21-15-19(16-22(42-2)31(21)45-5)27-29(33(39)35-13-9-7-11-25(35)37)28(30(27)34(40)36-14-10-8-12-26(36)38)20-17-23(43-3)32(46-6)24(18-20)44-4/h7-8,11-12,15-18,27-30H,9-10,13-14H2,1-6H3

InChI Key

ACSFIAACPMCYMR-UHFFFAOYSA-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 macropiper	LOTUS Database	35616633
Piper tuberculatum	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
Hydropyridine
Carboxylic acid imide, n-substituted
Carboxylic acid imide
Dicarboximide
Carboxylic acid derivative
Azacycle
Ether
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	3.93	ALOGPS
logP	2.27	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	18.16	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	130.14 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	168.7 m³·mol⁻¹	ChemAxon
Polarizability	65.9 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14782642

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one (NP0298624)

MOL for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

3D MOL for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

3D SDF for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

3D-SDF for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

PDB for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

3D PDB for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

SMILES for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

INCHI for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

Structure for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)

3D Structure for NP0298624 (1-[3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one)