NP-MRD: Showing NP-Card for 6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one (NP0230543)

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Record Information

Version

2.0

Created at

2022-09-06 11:01:37 UTC

Updated at

2022-09-06 11:01:37 UTC

NP-MRD ID

NP0230543

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one

Description

6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-5,6,7,7a-tetrahydro-2H-1,3-benzodioxol-5-one belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. 6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-5,6,7,7a-tetrahydro-2H-1,3-benzodioxol-5-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261505362D          

 54 64  0  0  0  0            999 V2000
    8.6186    4.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    4.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4751    4.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607    4.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607    5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4751    5.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1896    5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    5.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9041    6.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5984    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004261505362D          

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   13.9694    4.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7145    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9608    5.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8204    2.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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
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  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 27 35  1  0  0  0  0
 18 36  1  0  0  0  0
 10 36  1  0  0  0  0
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  5 38  1  0  0  0  0
 38 39  1  0  0  0  0
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 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 41 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 49 53  1  0  0  0  0
 53 54  2  0  0  0  0
 46 54  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230543

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1OC12OCOC1=CC(=O)C(C1OCC3C1COC3C1=CC=C3OCOC3=C1)C2O)C1OCC2C1COC2C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H38O14/c1-43-30-8-19(35-22-12-45-36(23(22)13-44-35)20-2-5-27-31(9-20)50-16-48-27)4-7-29(30)54-40-33(52-18-53-40)11-26(41)34(39(40)42)38-25-15-46-37(24(25)14-47-38)21-3-6-28-32(10-21)51-17-49-28/h2-11,22-25,34-39,42H,12-18H2,1H3

> <INCHI_KEY>
VFMSVDOBAMTYMJ-UHFFFAOYSA-N

> <FORMULA>
C40H38O14

> <MOLECULAR_WEIGHT>
742.73

> <EXACT_MASS>
742.226155904

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
75.65819127507271

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-5,6,7,7a-tetrahydro-2H-1,3-benzodioxol-5-one

> <ALOGPS_LOGP>
2.99

> <JCHEM_LOGP>
3.076695481333332

> <ALOGPS_LOGS>
-4.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.410040303250312

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.562604412007882

> <JCHEM_PKA_STRONGEST_BASIC>
-3.513349982050887

> <JCHEM_POLAR_SURFACE_AREA>
148.06

> <JCHEM_REFRACTIVITY>
183.86439999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.21e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2H-1,3-benzodioxol-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      16.088   8.536   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.754   7.766   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.421   8.536   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.087   7.766   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.753   8.536   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.753  10.076   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.087  10.846   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.421  10.076   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.754  10.846   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      14.754  12.386   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.347  11.760   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      12.317  12.904   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.087  14.238   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.593  13.918   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.839  14.823   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.246  14.197   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      18.492  15.102   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      17.407  12.665   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.814  12.039   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      19.134  10.532   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      20.666  10.371   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.292  11.778   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      20.148  12.809   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.774  14.215   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      22.306  14.054   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      22.626  12.548   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      24.033  11.922   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      25.278  12.827   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      26.685  12.201   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      26.846  10.669   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      28.092   9.764   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      27.616   8.299   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      26.076   8.299   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      25.600   9.764   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.194  10.390   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.161  11.760   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.322  10.228   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       9.420   7.766   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.013   8.393   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       6.982   7.248   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.752   5.914   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.259   6.235   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.029   4.901   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       8.998   3.756   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14   36                                             
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   36                                                  
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   19   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   22   27                                                  
CONECT   27   26   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   30   35                                                  
CONECT   35   34   27                                                       
CONECT   36   18   10   37                                                  
CONECT   37   36                                                            
CONECT   38    5   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   45                                                  
CONECT   42   41   38   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   41   46                                                  
CONECT   46   45   47   54                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   53                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   49   54                                                  
CONECT   54   53   46                                                       
MASTER        0    0    0    0    0    0    0    0   54    0  128    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₃₈O₁₄

Average Mass

742.7300 Da

Monoisotopic Mass

742.22616 Da

IUPAC Name

Traditional Name

6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2H-1,3-benzodioxol-5-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1OC12OCOC1=CC(=O)C(C1OCC3C1COC3C1=CC=C3OCOC3=C1)C2O)C1OCC2C1COC2C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C40H38O14/c1-43-30-8-19(35-22-12-45-36(23(22)13-44-35)20-2-5-27-31(9-20)50-16-48-27)4-7-29(30)54-40-33(52-18-53-40)11-26(41)34(39(40)42)38-25-15-46-37(24(25)14-47-38)21-3-6-28-32(10-21)51-17-49-28/h2-11,22-25,34-39,42H,12-18H2,1H3

InChI Key

VFMSVDOBAMTYMJ-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Not Available

Direct Parent

Furanoid lignans

Alternative Parents

Substituents

Furanoid lignan
Furofuran lignan skeleton
Benzodioxole
Anisole
Phenoxy compound
Furofuran
Phenol ether
Methoxybenzene
Ketal
Alkyl aryl ether
Cyclohexenone
Benzenoid
Monocyclic benzene moiety
Vinylogous ester
Tetrahydrofuran
Meta-dioxolane
Cyclic ketone
Secondary alcohol
Ketone
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Acetal
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	2.99	ALOGPS
logP	3.08	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	11.56	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	148.06 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	183.86 m³·mol⁻¹	ChemAxon
Polarizability	75.66 Å³	ChemAxon
Number of Rings	11	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

74975740

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one (NP0230543)

MOL for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

3D MOL for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

3D SDF for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

3D-SDF for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

PDB for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

3D PDB for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

SMILES for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

INCHI for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

Structure for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)

3D Structure for NP0230543 (6-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-7a-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-7-hydroxy-6,7-dihydro-2h-1,3-benzodioxol-5-one)