NP-MRD: Showing NP-Card for 2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one (NP0185109)

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Record Information

Version

2.0

Created at

2022-09-04 00:25:07 UTC

Updated at

2022-09-04 00:25:08 UTC

NP-MRD ID

NP0185109

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one

Description

2-(3,4-Dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-7-methoxy-4H-chromen-4-one belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Based on a literature review very few articles have been published on 2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-7-methoxy-4H-chromen-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042202252D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309042202252D          

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   -0.2941   -1.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -2.4346    0.0000 C   0  0  2  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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
    0.7145   -0.4125    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
    1.4289    0.8250    0.0000 O   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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    2.6814   -3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -3.4413    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  2  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 39 42  2  0  0  0  0
 33 42  1  0  0  0  0
 32 43  1  0  0  0  0
 43 44  1  0  0  0  0
 21 44  2  0  0  0  0
 28 44  1  0  0  0  0
  6 45  1  0  0  0  0
 45 46  2  0  0  0  0
  3 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0185109

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1)[C@@H]1OC2=CC(OC)=CC(O)=C2C(=O)[C@@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1OC)C1=CC=C(OC)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H30O11/c1-40-19-9-6-17(7-10-19)34-32(33(39)30-21(36)13-20(41-2)14-28(30)46-34)31-27(44-5)16-23(38)29-22(37)15-25(45-35(29)31)18-8-11-24(42-3)26(12-18)43-4/h6-16,32,34,36,38H,1-5H3/t32-,34-/m0/s1

> <INCHI_KEY>
BZEKKSSYFMPCCF-TWJUONSBSA-N

> <FORMULA>
C35H30O11

> <MOLECULAR_WEIGHT>
626.614

> <EXACT_MASS>
626.178811786

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
62.31202173634587

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-7-methoxy-4H-chromen-4-one

> <JCHEM_LOGP>
5.671246577333331

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.65925402960372

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.29193775633852

> <JCHEM_PKA_STRONGEST_BASIC>
-4.26125062998016

> <JCHEM_POLAR_SURFACE_AREA>
139.21

> <JCHEM_REFRACTIVITY>
167.2075999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-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       8.141 -10.113   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.980  -8.582   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.573  -7.955   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.327  -8.861   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.920  -8.234   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.759  -6.703   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.352  -6.076   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.107  -6.981   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.300  -6.355   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.546  -7.260   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.953  -6.634   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.199  -7.539   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.606  -6.913   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.114  -5.102   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.868  -4.197   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.029  -2.666   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.461  -4.823   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.785  -3.918   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.549  -3.148   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.191  -4.545   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.005  -5.797   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       6.412  -6.424   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   46                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   45                                                  
CONECT    7    6    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    9   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    7   21                                                  
CONECT   21   20   22   44                                                  
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   44                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   43                                                  
CONECT   33   32   34   42                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   42                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   39   33                                                       
CONECT   43   32   44                                                       
CONECT   44   43   21   28                                                  
CONECT   45    6   46                                                       
CONECT   46   45    3                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₀O₁₁

Average Mass

626.6140 Da

Monoisotopic Mass

626.17881 Da

IUPAC Name

2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-7-methoxy-4H-chromen-4-one

Traditional Name

2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2R,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1)[C@@H]1OC2=CC(OC)=CC(O)=C2C(=O)[C@@H]1C1=C2OC(=CC(=O)C2=C(O)C=C1OC)C1=CC=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C35H30O11/c1-40-19-9-6-17(7-10-19)34-32(33(39)30-21(36)13-20(41-2)14-28(30)46-34)31-27(44-5)16-23(38)29-22(37)15-25(45-35(29)31)18-8-11-24(42-3)26(12-18)43-4/h6-16,32,34,36,38H,1-5H3/t32-,34-/m0/s1

InChI Key

BZEKKSSYFMPCCF-TWJUONSBSA-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 biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

Bi- and polyflavonoid skeleton
Pyranoisoflavonoid
2p-methoxyisoflavonoid-skeleton
3p-methoxyflavonoid-skeleton
4p-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
7-methoxyisoflavonoid-skeleton
5-hydroxyflavonoid
Isoflavanone
Hydroxyflavonoid
Flavone
Flavanone
Hydroxyisoflavonoid
Isoflavonoid
Isoflavonoid skeleton
Flavan
Isoflavan
Stilbene
Chromone
Chromane
Benzopyran
O-dimethoxybenzene
Dimethoxybenzene
1-benzopyran
Aryl ketone
Aryl alkyl ketone
Phenol ether
Methoxybenzene
Anisole
Phenoxy compound
Pyranone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyran
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Ketone
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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	5.67	ChemAxon
pKa (Strongest Acidic)	7.29	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	139.21 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	167.21 m³·mol⁻¹	ChemAxon
Polarizability	62.31 Å³	ChemAxon
Number of Rings	6	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

162962686

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one (NP0185109)

MOL for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

3D MOL for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

3D SDF for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

3D-SDF for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

PDB for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

3D PDB for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

SMILES for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

INCHI for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

Structure for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)

3D Structure for NP0185109 (2-(3,4-dimethoxyphenyl)-5-hydroxy-8-[(2r,3r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one)