NP-MRD: Showing NP-Card for 5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one (NP0176718)

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Record Information

Version

2.0

Created at

2022-09-03 14:26:11 UTC

Updated at

2022-09-03 14:26:11 UTC

NP-MRD ID

NP0176718

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

Description

5-Methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]Oct-4-en-3-one belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. 5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one is found in Aniba firmula. 5-Methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]Oct-4-en-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171505522D          

 32 36  0  0  0  0            999 V2000
   -1.4261   -3.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911   -3.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -2.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885   -0.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0872   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339   -1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0499   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665   -2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800   -1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    1.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5148    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982    0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    1.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4956    1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 27 32  1  0  0  0  0
M  END

     RDKit          3D

 54 58  0  0  0  0  0  0  0  0999 V2000
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   -2.8950   -0.6812    2.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7000   -2.2447   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9754   -3.2949    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -4.5739    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819   -4.8773   -1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135   -3.8505   -2.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337   -2.5843   -1.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206    0.0871   -0.6108 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6959    0.4167   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734   -0.3971   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984   -0.0286    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051   -0.8447   -0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9871   -3.1539    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4670   -5.3704    0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002   -5.8611   -1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -4.0274   -3.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -1.8327   -2.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3360   -0.0584   -1.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -1.3243   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6203    0.5848    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.1190    0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813   -0.5259    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004171505522D          

 32 36  0  0  0  0            999 V2000
   -1.4261   -3.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911   -3.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -2.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885   -0.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304   -1.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0872   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339   -1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8468   -3.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0499   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665   -2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0176718

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=O)OC(=C1)C1C(C2C(OC)=CC(=O)OC12C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H22O6/c1-29-18-13-20(31-21(27)14-18)25-23(16-9-5-3-6-10-16)24-19(30-2)15-22(28)32-26(24,25)17-11-7-4-8-12-17/h3-15,23-25H,1-2H3

> <INCHI_KEY>
DBHBMBNEFFRYOE-UHFFFAOYSA-N

> <FORMULA>
C26H22O6

> <MOLECULAR_WEIGHT>
430.456

> <EXACT_MASS>
430.141638428

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
44.247747722030454

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

> <ALOGPS_LOGP>
4.78

> <JCHEM_LOGP>
3.4112762190000003

> <ALOGPS_LOGS>
-5.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.04571410051176

> <JCHEM_PKA_STRONGEST_BASIC>
-4.509406479659447

> <JCHEM_POLAR_SURFACE_AREA>
71.06

> <JCHEM_REFRACTIVITY>
120.70780000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.04e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -2.662  -6.995   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.290  -6.296   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.209  -4.758   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.501  -3.919   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.420  -2.381   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.712  -1.543   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.048  -1.682   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.243  -2.521   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.163  -4.059   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.616  -1.822   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.616  -0.282   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.156  -0.282   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.489   0.488   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.823  -0.282   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.823  -1.822   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.157  -2.592   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.489  -2.592   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.156  -1.822   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.757  -3.309   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.846  -4.398   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.447  -5.886   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.960  -6.284   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.871  -5.195   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.269  -3.708   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.489   2.028   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.823   2.798   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.527   0.807   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.961   0.409   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.050   1.497   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.651   2.985   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.164   3.384   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.925   2.295   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8    3                                                       
CONECT   10    8   11   18                                                  
CONECT   11   10   12   27                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14   25                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   10   12   19                                             
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25   13   26                                                       
CONECT   26   25                                                            
CONECT   27   11   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   27                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₂₂O₆

Average Mass

430.4560 Da

Monoisotopic Mass

430.14164 Da

IUPAC Name

5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

Traditional Name

5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=O)OC(=C1)C1C(C2C(OC)=CC(=O)OC12C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C26H22O6/c1-29-18-13-20(31-21(27)14-18)25-23(16-9-5-3-6-10-16)24-19(30-2)15-22(28)32-26(24,25)17-11-7-4-8-12-17/h3-15,23-25H,1-2H3

InChI Key

DBHBMBNEFFRYOE-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

Species Name	Source	Reference
Aniba firmula	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrans

Sub Class

Pyranones and derivatives

Direct Parent

Dihydropyranones

Alternative Parents

Substituents

Alkyl aryl ether
Dihydropyranone
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Ether
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Carbonyl group
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	4.78	ALOGPS
logP	3.41	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	15.05	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	71.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	120.71 m³·mol⁻¹	ChemAxon
Polarizability	44.25 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one (NP0176718)

MOL for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

3D MOL for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

3D SDF for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

3D-SDF for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

PDB for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

3D PDB for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

SMILES for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

INCHI for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

Structure for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)

3D Structure for NP0176718 (5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one)