NP-MRD: Showing NP-Card for (2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one (NP0264222)

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Record Information

Version

2.0

Created at

2022-09-08 07:40:22 UTC

Updated at

2022-09-08 07:40:23 UTC

NP-MRD ID

NP0264222

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one

Description

Phomopsis-H76 C belongs to the class of organic compounds known as nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. Based on a literature review very few articles have been published on Phomopsis-H76 C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082209402D          

 44 49  0  0  0  0            999 V2000
   -5.0013    2.0625    0.0000 O   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    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2868   -1.6500    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
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  7  2  0  0  0  0
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 27 43  1  0  0  0  0
 23 43  1  0  0  0  0
 20 44  1  0  0  0  0
 16 44  1  0  0  0  0
M  CHG  4  13   1  15  -1  36   1  38  -1
M  END

     RDKit          3D

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  7  6  2  0
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  4  3  1  0
  3  2  1  0
  2  1  2  0
  2 17  1  0
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 44 20  1  0
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 26 41  1  0
 41 42  2  0
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  6 12  1  0
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 24 23  1  0
 35 29  1  0
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 28 27  1  0
 10 48  1  0
  8 47  1  0
  7 46  1  0
  4 45  1  0
 21 52  1  0
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 30 56  1  0
 31 57  1  0
 33 58  1  0
 34 59  1  0
 19 51  1  0
 18 50  1  0
 11 49  1  0
M  CHG  4  13   1  15  -1  36   1  38  -1
M  END


  Mrv1652309082209402D          

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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 28 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 26 41  1  0  0  0  0
 41 42  2  0  0  0  0
 27 43  1  0  0  0  0
 23 43  1  0  0  0  0
 20 44  1  0  0  0  0
 16 44  1  0  0  0  0
M  CHG  4  13   1  15  -1  36   1  38  -1
M  END
> <DATABASE_ID>
NP0264222

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C2=COC(=O)C3=C2O\C(=C\C=C2\OC4=C(C=C2)C(=O)OC=C4C2=CC=C(O)C=C2[N+]([O-])=O)C=C3)C(=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H16N2O12/c33-15-1-7-19(25(11-15)31(37)38)23-13-41-29(35)21-9-5-17(43-27(21)23)3-4-18-6-10-22-28(44-18)24(14-42-30(22)36)20-8-2-16(34)12-26(20)32(39)40/h1-14,33-34H/b17-3+,18-4+

> <INCHI_KEY>
RJHAVPXRQFPYCO-SCGPFSFSSA-N

> <FORMULA>
C30H16N2O12

> <MOLECULAR_WEIGHT>
596.46

> <EXACT_MASS>
596.070323963

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
56.07822431372225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2E)-8-(4-hydroxy-2-nitrophenyl)-5-oxo-2H,5H-pyrano[3,2-c]pyran-2-ylidene]ethylidene}-2H,5H-pyrano[4,3-b]pyran-5-one

> <JCHEM_LOGP>
3.4062700986666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.057271915058873

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4552119237309835

> <JCHEM_PKA_STRONGEST_BASIC>
-5.024398922970979

> <JCHEM_POLAR_SURFACE_AREA>
197.79999999999998

> <JCHEM_REFRACTIVITY>
157.08120000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2E)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  O   UNK     0      -9.336   3.850   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0     -10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0     -12.003  -2.310   0.000  0.00  0.00           N+1
HETATM   14  O   UNK     0     -12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0     -13.337  -3.080   0.000  0.00  0.00           O-1
HETATM   16  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       5.335   1.540   0.000  0.00  0.00           N+1
HETATM   37  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O-1
HETATM   39  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   16                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11    6   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    5   17   44                                                  
CONECT   17   16    2   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   44                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   43                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   41                                                  
CONECT   27   26   28   43                                                  
CONECT   28   27   29   39                                                  
CONECT   29   28   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   29   36                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   28   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   26   42                                                  
CONECT   42   41                                                            
CONECT   43   27   23                                                       
CONECT   44   20   16                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₁₆N₂O₁₂

Average Mass

596.4600 Da

Monoisotopic Mass

596.07032 Da

IUPAC Name

(2E)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2E)-8-(4-hydroxy-2-nitrophenyl)-5-oxo-2H,5H-pyrano[3,2-c]pyran-2-ylidene]ethylidene}-2H,5H-pyrano[4,3-b]pyran-5-one

Traditional Name

(2E)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2E)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C2=COC(=O)C3=C2O\C(=C\C=C2\OC4=C(C=C2)C(=O)OC=C4C2=CC=C(O)C=C2[N+]([O-])=O)C=C3)C(=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C30H16N2O12/c33-15-1-7-19(25(11-15)31(37)38)23-13-41-29(35)21-9-5-17(43-27(21)23)3-4-18-6-10-22-28(44-18)24(14-42-30(22)36)20-8-2-16(34)12-26(20)32(39)40/h1-14,33-34H/b17-3+,18-4+

InChI Key

RJHAVPXRQFPYCO-SCGPFSFSSA-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 nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Nitrophenol
Nitrobenzene
Nitroaromatic compound
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Pyran
Heteroaromatic compound
Vinylogous ester
Lactone
C-nitro compound
Organic nitro compound
Oxacycle
Organic oxoazanium
Organoheterocyclic compound
Allyl-type 1,3-dipolar organic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organic salt
Organic oxide
Hydrocarbon derivative
Organic cation
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	3.41	ChemAxon
pKa (Strongest Acidic)	7.46	ChemAxon
pKa (Strongest Basic)	-5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	197.8 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	157.08 m³·mol⁻¹	ChemAxon
Polarizability	56.08 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

27024950

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

46894477

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one (NP0264222)

MOL for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

3D MOL for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

3D SDF for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

3D-SDF for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

PDB for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

3D PDB for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

SMILES for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

INCHI for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

Structure for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)

3D Structure for NP0264222 ((2e)-8-(4-hydroxy-2-nitrophenyl)-2-{2-[(2e)-8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[3,2-c]pyran-2-ylidene]ethylidene}pyrano[4,3-b]pyran-5-one)