NP-MRD: Showing NP-Card for (3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one (NP0194078)

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Record Information

Version

2.0

Created at

2022-09-04 11:40:12 UTC

Updated at

2022-09-04 11:40:12 UTC

NP-MRD ID

NP0194078

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one

Description

(R)-Triquetrumone D belongs to the class of organic compounds known as 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position. (3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one is found in Tadehagi triquetrum. (3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one was first documented in 2005 (PMID: 15656660). Based on a literature review very few articles have been published on (R)-Triquetrumone D.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042213402D          

 56 63  0  0  1  0            999 V2000
    2.2039   -7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624   -6.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6634   -5.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6058   -4.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2322   -3.6627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6003   -3.1324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1878   -3.8469    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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  8  7  1  6  0  0  0
  8  9  1  1  0  0  0
  9 10  1  6  0  0  0
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 10 19  1  0  0  0  0
  9 20  1  6  0  0  0
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 28 29  1  0  0  0  0
  9 29  1  0  0  0  0
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 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
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  8 37  1  0  0  0  0
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  7 54  1  0  0  0  0
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M  END

     RDKit          3D

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 19 68  1  0
M  END


  Mrv1652309042213402D          

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 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 23 36  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
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 43 45  2  0  0  0  0
 39 45  1  0  0  0  0
 45 46  1  0  0  0  0
  8 46  1  0  0  0  0
 46 47  2  0  0  0  0
 41 48  1  0  0  0  0
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 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 52 53  2  0  0  0  0
 40 53  1  0  0  0  0
  7 54  1  0  0  0  0
 54 55  2  0  0  0  0
  3 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0194078

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C(C=C1O)[C@]1(COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)[C@@]1(COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)C1=CC(O)=C(OC)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C42H38O14/c1-39(2)9-7-21-29(55-39)15-23(43)31-33(21)53-17-41(37(31)49,19-11-25(45)35(51-5)26(46)12-19)42(20-13-27(47)36(52-6)28(48)14-20)18-54-34-22-8-10-40(3,4)56-30(22)16-24(44)32(34)38(42)50/h7-16,43-48H,17-18H2,1-6H3/t41-,42-/m0/s1

> <INCHI_KEY>
WUIREJPRBXPTDZ-COCZKOEFSA-N

> <FORMULA>
C42H38O14

> <MOLECULAR_WEIGHT>
766.752

> <EXACT_MASS>
766.226155904

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
78.65115059460533

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-5-[(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-8-hydroxy-12,12-dimethyl-6-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-5-yl]-8-hydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-6-one

> <JCHEM_LOGP>
6.700385872

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.00092749571859

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.493799899635441

> <JCHEM_PKA_STRONGEST_BASIC>
-4.6323075674281835

> <JCHEM_POLAR_SURFACE_AREA>
210.89999999999995

> <JCHEM_REFRACTIVITY>
203.064

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-5-[(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-8-hydroxy-12,12-dimethyl-6-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-5-yl]-8-hydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       4.114 -13.657   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.730 -12.982   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.622 -11.446   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.238 -10.771   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.038 -11.632   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.131  -9.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.408  -8.373   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.300  -6.837   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.120  -5.847   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.350  -7.181   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.120  -8.515   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.350  -9.848   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.680 -10.993   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.190  -9.848   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.960 -11.182   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.500 -11.182   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.960  -8.515   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.500  -8.515   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.190  -7.181   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.300  -4.857   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.033  -3.341   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.586  -2.814   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.318  -1.297   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.129  -0.771   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.309  -1.761   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.041  -3.277   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.221  -4.267   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.594  -3.804   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.327  -5.321   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.506  -6.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.396   0.746   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.217   1.736   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.396   2.726   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.553   3.069   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.231   1.209   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.498  -0.308   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.070  -8.171   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.610  -8.171   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       5.380  -6.837   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.920  -6.837   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.690  -5.503   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.920  -4.170   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.380  -4.170   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.610  -2.836   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       4.610  -5.503   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.070  -5.503   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       2.750  -3.997   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       9.230  -5.503   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      10.000  -6.837   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      11.180  -5.847   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      11.180  -7.827   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       9.230  -8.171   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       7.690  -8.171   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       3.792  -9.048   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       3.899 -10.585   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       5.283 -11.260   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   54                                                  
CONECT    8    7    9   37   46                                             
CONECT    9    8   10   20   29                                             
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10                                                       
CONECT   20    9   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24   36                                                  
CONECT   24   23   25   31                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   22   29                                                  
CONECT   29   28    9   30                                                  
CONECT   30   29                                                            
CONECT   31   24   32                                                       
CONECT   32   31   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   36                                                       
CONECT   36   35   23                                                       
CONECT   37    8   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   45                                                  
CONECT   40   39   41   53                                                  
CONECT   41   40   42   48                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   39   46                                                  
CONECT   46   45    8   47                                                  
CONECT   47   46                                                            
CONECT   48   41   49                                                       
CONECT   49   48   50   51   52                                             
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   49   53                                                       
CONECT   53   52   40                                                       
CONECT   54    7   55                                                       
CONECT   55   54    3   56                                                  
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  126    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₃₈O₁₄

Average Mass

766.7520 Da

Monoisotopic Mass

766.22616 Da

IUPAC Name

(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-5-[(5R)-5-(3,5-dihydroxy-4-methoxyphenyl)-8-hydroxy-12,12-dimethyl-6-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-5-yl]-8-hydroxy-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,7,9,13-tetraen-6-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1O)[C@]1(COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)[C@@]1(COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)C1=CC(O)=C(OC)C(O)=C1

InChI Identifier

InChI=1S/C42H38O14/c1-39(2)9-7-21-29(55-39)15-23(43)31-33(21)53-17-41(37(31)49,19-11-25(45)35(51-5)26(46)12-19)42(20-13-27(47)36(52-6)28(48)14-20)18-54-34-22-8-10-40(3,4)56-30(22)16-24(44)32(34)38(42)50/h7-16,43-48H,17-18H2,1-6H3/t41-,42-/m0/s1

InChI Key

WUIREJPRBXPTDZ-COCZKOEFSA-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
Tadehagi triquetrum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavans

Direct Parent

8-prenylated isoflavanones

Alternative Parents

Substituents

8-prenylated isoflavanone
Pyranoisoflavonoid
3'-hydroxy,4'-methoxyisoflavonoid
4p-methoxyisoflavonoid
Isoflavanol
Hydroxyisoflavonoid
Stilbene
Pyranochromene
2,2-dimethyl-1-benzopyran
Chromone
Chromane
Benzopyran
Methoxyphenol
1-benzopyran
Methoxybenzene
Anisole
Aryl alkyl ketone
Aryl ketone
Phenol ether
Phenoxy compound
Resorcinol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Organoheterocyclic compound
Ether
Oxacycle
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic oxygen 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	6.7	ChemAxon
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	210.9 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	203.06 m³·mol⁻¹	ChemAxon
Polarizability	78.65 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

102216289

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Xiang W, Li RT, Mao YL, Zhang HJ, Li SH, Song QS, Sun HD: Four new prenylated isoflavonoids in Tadehagi triquetrum. J Agric Food Chem. 2005 Jan 26;53(2):267-71. doi: 10.1021/jf0483117. [PubMed:15656660 ]
LOTUS database [Link]

Showing NP-Card for (3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one (NP0194078)

MOL for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

3D MOL for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

3D SDF for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

3D-SDF for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

PDB for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

3D PDB for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

SMILES for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

INCHI for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

Structure for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)

3D Structure for NP0194078 ((3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-3-[(3r)-3-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-8,8-dimethyl-4-oxo-2h-pyrano[2,3-f]chromen-3-yl]-5-hydroxy-8,8-dimethyl-2h-pyrano[2,3-f]chromen-4-one)