NP-MRD: Showing NP-Card for (2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one (NP0312016)

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Record Information

Version

2.0

Created at

2022-09-11 08:25:59 UTC

Updated at

2022-09-11 08:25:59 UTC

NP-MRD ID

NP0312016

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112210262D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309112210262D          

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M  END
> <DATABASE_ID>
NP0312016

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(CC2C(OC(C2C(=O)C2=CC=C(O)C=C2O)C2=CC=C(O)C=C2)C2=C(O)C=C(O)C(=C2)C(C2C(OC3=CC=C(\C=C/C(=O)C4=CC=C(O)C=C4O)C=C23)C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C60H48O15/c61-34-9-1-30(2-10-34)24-46-56(57(73)42-20-17-39(66)27-50(42)70)59(33-7-13-36(63)14-8-33)75-60(46)44-28-43(51(71)29-52(44)72)54(41-19-16-38(65)26-49(41)69)55-45-23-31(3-21-47(67)40-18-15-37(64)25-48(40)68)4-22-53(45)74-58(55)32-5-11-35(62)12-6-32/h1-23,25-29,46,54-56,58-66,68-72H,24H2/b21-3-

> <INCHI_KEY>
HUSLZNYNWSUNJK-OSSHXBFKSA-N

> <FORMULA>
C60H48O15

> <MOLECULAR_WEIGHT>
1009.029

> <EXACT_MASS>
1008.299320846

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
123

> <JCHEM_AVERAGE_POLARIZABILITY>
102.95465043491416

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

> <JCHEM_LOGP>
12.083550678333337

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.611242559406709

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.975959586799371

> <JCHEM_PKA_STRONGEST_BASIC>
-4.911605168500363

> <JCHEM_POLAR_SURFACE_AREA>
275.12999999999994

> <JCHEM_REFRACTIVITY>
278.6654

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  O   UNK     0       7.591   1.303   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.680   6.698   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.204   8.162   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.235   9.307   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.741   8.987   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.772  10.131   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.217   7.522   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.187   6.378   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.662   4.913   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.619   6.698   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.887   6.378   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.918   7.522   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.424   7.202   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.568   8.232   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.902   7.462   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.309   8.089   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -8.555   7.184   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -9.962   7.810   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -10.123   9.341   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -11.529   9.968   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -8.877  10.247   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.470   9.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.582   5.956   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.612   4.812   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -6.136   3.347   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -8.119   5.132   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.595   6.596   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -10.101   6.917   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -11.131   5.772   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -12.638   6.092   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0     -10.655   4.307   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -9.149   3.987   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -8.673   2.523   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -4.050   5.795   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -3.280   4.461   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.740   4.461   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -0.970   5.795   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       0.570   5.795   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.340   4.461   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       2.880   4.461   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       0.570   3.128   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -0.970   3.128   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -1.442   8.987   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -2.472  10.131   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       0.065   9.307   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       1.095   8.162   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       2.429   8.932   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -1.090   1.509   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      -2.630   1.509   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -3.400   2.843   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      -4.940   2.843   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      -2.630   4.177   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -1.090   4.177   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      10.259   1.303   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      10.259  -0.237   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      11.592  -1.007   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      12.926  -0.237   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0      14.260  -1.007   0.000  0.00  0.00           O+0
HETATM   73  C   UNK     0      12.926   1.303   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      11.592   2.073   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0      11.592   3.613   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   68                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   67                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    5                                                       
CONECT   11    9   12   59                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   13   20                                                  
CONECT   20   19                                                            
CONECT   21   12   22   57                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   54                                                  
CONECT   24   23   25   45                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   34                                                  
CONECT   27   26   28   33                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   27                                                       
CONECT   34   26   35   45                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   43                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   37   44                                                  
CONECT   44   43                                                            
CONECT   45   34   24   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   53                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52   47                                                       
CONECT   54   23   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   21   58                                                  
CONECT   58   57                                                            
CONECT   59   11   60   67                                                  
CONECT   60   59   61   66                                                  
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63   66                                                       
CONECT   66   65   60                                                       
CONECT   67   59    8                                                       
CONECT   68    2   69   74                                                  
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72   73                                                  
CONECT   72   71                                                            
CONECT   73   71   74                                                       
CONECT   74   73   68   75                                                  
CONECT   75   74                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  168    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₀H₄₈O₁₅

Average Mass

1009.0290 Da

Monoisotopic Mass

1008.29932 Da

IUPAC Name

(2Z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Traditional Name

CAS Registry Number

Not Available

SMILES

OC1=CC=C(CC2C(OC(C2C(=O)C2=CC=C(O)C=C2O)C2=CC=C(O)C=C2)C2=C(O)C=C(O)C(=C2)C(C2C(OC3=CC=C(\C=C/C(=O)C4=CC=C(O)C=C4O)C=C23)C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)C=C1

InChI Identifier

InChI=1S/C60H48O15/c61-34-9-1-30(2-10-34)24-46-56(57(73)42-20-17-39(66)27-50(42)70)59(33-7-13-36(63)14-8-33)75-60(46)44-28-43(51(71)29-52(44)72)54(41-19-16-38(65)26-49(41)69)55-45-23-31(3-21-47(67)40-18-15-37(64)25-48(40)68)4-22-53(45)74-58(55)32-5-11-35(62)12-6-32/h1-23,25-29,46,54-56,58-66,68-72H,24H2/b21-3-

InChI Key

HUSLZNYNWSUNJK-OSSHXBFKSA-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
Lophira alata	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	12.08	ChemAxon
pKa (Strongest Acidic)	6.98	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	275.13 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	278.67 m³·mol⁻¹	ChemAxon
Polarizability	102.95 Å³	ChemAxon
Number of Rings	10	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 (2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one (NP0312016)

MOL for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

3D MOL for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

3D SDF for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

3D-SDF for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

PDB for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

3D PDB for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

SMILES for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

INCHI for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

Structure for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)

3D Structure for NP0312016 ((2z)-3-[3-({5-[4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-2,4-dihydroxyphenyl}(2,4-dihydroxyphenyl)methyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one)