NP-MRD: Showing NP-Card for 2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate (NP0244439)

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Record Information

Version

2.0

Created at

2022-09-07 05:14:23 UTC

Updated at

2022-09-07 05:14:23 UTC

NP-MRD ID

NP0244439

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate

Description

2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate is found in Bonamia spectabilis.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072207142D          

 47 49  0  0  0  0            999 V2000
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

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M  END


  Mrv1652309072207142D          

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    0.0000    1.6500    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    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
   -0.7145    0.4125    0.0000 O   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
   -2.1434    0.4125    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
   -0.7145   -1.2375    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   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
    1.4289   -2.4750    0.0000 O   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
    0.7145   -3.7125    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   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -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
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   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
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   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
   -0.7145   -2.0625    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
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 17 18  1  0  0  0  0
 16 19  2  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
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  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
 30 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 28 39  1  0  0  0  0
 19 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
 14 43  1  0  0  0  0
  9 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 44 47  2  0  0  0  0
  4 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244439

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CC(C)OC2=C(OC)C=C(\C=C\C)C=C2OC)=CC(OC)=C1OC(C)C(OC(C)=O)C1=CC(OC)=C(OC)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H46O11/c1-12-13-24-15-27(38-5)35(28(16-24)39-6)45-21(2)14-25-17-29(40-7)36(30(18-25)41-8)46-22(3)33(47-23(4)37)26-19-31(42-9)34(44-11)32(20-26)43-10/h12-13,15-22,33H,14H2,1-11H3/b13-12+

> <INCHI_KEY>
UAPDIOXNFGCASE-OUKQBFOZSA-N

> <FORMULA>
C36H46O11

> <MOLECULAR_WEIGHT>
654.753

> <EXACT_MASS>
654.304012301

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
70.90778933848767

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[4-(2-{2,6-dimethoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate

> <JCHEM_LOGP>
6.059089445

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.019753249498584

> <JCHEM_POLAR_SURFACE_AREA>
109.37000000000002

> <JCHEM_REFRACTIVITY>
177.51839999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[4-(2-{2,6-dimethoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334   0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.335  -6.160   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.668 -13.090   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.001 -13.090   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.000 -10.780   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.000  -6.160   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -5.335   3.080   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   47                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   44                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   43                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   40                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   28                                                       
CONECT   40   19   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40   14                                                       
CONECT   44    9   45   47                                                  
CONECT   45   44   46                                                       
CONECT   46   45                                                            
CONECT   47   44    4                                                       
MASTER        0    0    0    0    0    0    0    0   47    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₆O₁₁

Average Mass

654.7530 Da

Monoisotopic Mass

654.30401 Da

IUPAC Name

2-[4-(2-{2,6-dimethoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate

Traditional Name

2-[4-(2-{2,6-dimethoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate

CAS Registry Number

Not Available

SMILES

COC1=CC(CC(C)OC2=C(OC)C=C(\C=C\C)C=C2OC)=CC(OC)=C1OC(C)C(OC(C)=O)C1=CC(OC)=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C36H46O11/c1-12-13-24-15-27(38-5)35(28(16-24)39-6)45-21(2)14-25-17-29(40-7)36(30(18-25)41-8)46-22(3)33(47-23(4)37)26-19-31(42-9)34(44-11)32(20-26)43-10/h12-13,15-22,33H,14H2,1-11H3/b13-12+

InChI Key

UAPDIOXNFGCASE-OUKQBFOZSA-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

Classification

Not classified

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	6.06	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	109.37 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	177.52 m³·mol⁻¹	ChemAxon
Polarizability	70.91 Å³	ChemAxon
Number of Rings	3	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

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate (NP0244439)

MOL for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

3D MOL for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

3D SDF for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

3D-SDF for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

PDB for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

3D PDB for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

SMILES for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

INCHI for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

Structure for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)

3D Structure for NP0244439 (2-[4-(2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl acetate)