NP-MRD: Showing NP-Card for 2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane (NP0186381)

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Record Information

Version

2.0

Created at

2022-09-04 02:12:58 UTC

Updated at

2022-09-04 02:12:58 UTC

NP-MRD ID

NP0186381

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

Description

2-(3,5-Dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. 2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane is found in Bonamia spectabilis. 2-(3,5-Dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004151518512D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004151518512D          

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    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    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    2.0625    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
    2.1434    1.2375    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
    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
    0.0000   -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
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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
    1.3819   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2227   -4.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -5.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6052   -5.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   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
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  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
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  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
 29 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 27 38  1  0  0  0  0
  5 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0186381

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CC(C)OC2=C(OC)C=C(C=C2OC)C2OC(C(C)C2C)C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C35H46O10/c1-19(12-22-13-25(36-4)33(42-10)26(14-22)37-5)44-35-29(40-8)17-24(18-30(35)41-9)32-21(3)20(2)31(45-32)23-15-27(38-6)34(43-11)28(16-23)39-7/h13-21,31-32H,12H2,1-11H3

> <INCHI_KEY>
TUBIIAQMYMFEQR-UHFFFAOYSA-N

> <FORMULA>
C35H46O10

> <MOLECULAR_WEIGHT>
626.743

> <EXACT_MASS>
626.309097681

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
68.01069549627107

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

> <ALOGPS_LOGP>
5.54

> <JCHEM_LOGP>
5.839440885000002

> <ALOGPS_LOGS>
-6.15

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8419149749520334

> <JCHEM_POLAR_SURFACE_AREA>
92.30000000000003

> <JCHEM_REFRACTIVITY>
170.01749999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.47e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.000  10.780   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.000   9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.580  -3.215   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.104  -4.680   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.564  -4.680   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.342  -5.926   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.088  -3.215   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.377  -2.739   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.009  -5.926   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.540  -5.765   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.446  -7.011   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.977  -6.850   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.882  -8.096   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.819  -8.417   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.724  -9.663   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       5.098 -11.070   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.288  -8.578   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.661  -9.985   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.130 -10.146   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.382  -7.333   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.667   9.240   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   15   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   20   26                                                  
CONECT   26   25                                                            
CONECT   27   22   28   38                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   27                                                       
CONECT   39    5   40                                                       
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40    3   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₆O₁₀

Average Mass

626.7430 Da

Monoisotopic Mass

626.30910 Da

IUPAC Name

2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

Traditional Name

2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane

CAS Registry Number

Not Available

SMILES

COC1=CC(CC(C)OC2=C(OC)C=C(C=C2OC)C2OC(C(C)C2C)C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

InChI Identifier

InChI=1S/C35H46O10/c1-19(12-22-13-25(36-4)33(42-10)26(14-22)37-5)44-35-29(40-8)17-24(18-30(35)41-9)32-21(3)20(2)31(45-32)23-15-27(38-6)34(43-11)28(16-23)39-7/h13-21,31-32H,12H2,1-11H3

InChI Key

TUBIIAQMYMFEQR-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
Bonamia spectabilis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

7,7'-epoxylignans

Alternative Parents

Substituents

7,7p-epoxylignan
Dibenzylbutane lignan skeleton
Dimethoxybenzene
M-dimethoxybenzene
Phenylpropane
Methoxybenzene
Anisole
Phenoxy compound
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Oxolane
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
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	5.54	ALOGPS
logP	5.84	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	92.3 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	170.02 m³·mol⁻¹	ChemAxon
Polarizability	68.01 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

85105173

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane (NP0186381)

MOL for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

3D MOL for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

3D SDF for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

3D-SDF for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

PDB for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

3D PDB for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

SMILES for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

INCHI for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

Structure for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)

3D Structure for NP0186381 (2-(3,5-dimethoxy-4-{[1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolane)