NP-MRD: Showing NP-Card for 5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one (NP0231466)

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Record Information

Version

2.0

Created at

2022-09-06 12:20:48 UTC

Updated at

2022-09-06 12:20:48 UTC

NP-MRD ID

NP0231466

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one

Description

5,6-Dihydroxy-3-[(2E)-3-hydroxy-5-oxo-4-tridecyl-2,5-dihydrofuran-2-ylidene]-7-tridecyl-2,3-dihydro-1-benzofuran-2-one belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. 5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one is found in Embelia ribes. Based on a literature review very few articles have been published on 5,6-dihydroxy-3-[(2E)-3-hydroxy-5-oxo-4-tridecyl-2,5-dihydrofuran-2-ylidene]-7-tridecyl-2,3-dihydro-1-benzofuran-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062214202D          

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M  END

     RDKit          3D

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  9 64  1  0
 10 65  1  0
 10 66  1  0
 11 67  1  0
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 12 69  1  0
 12 70  1  0
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 16 73  1  0
 24 74  1  0
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 28 76  1  0
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 30 78  1  0
 31 79  1  0
 31 80  1  0
 32 81  1  0
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 33 83  1  0
 33 84  1  0
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 35 88  1  0
 36 89  1  0
 36 90  1  0
 37 91  1  0
 37 92  1  0
 38 93  1  0
 38 94  1  0
 39 95  1  0
 39 96  1  0
 40 97  1  0
 40 98  1  0
 41 99  1  0
 41100  1  0
 42101  1  0
 42102  1  0
 42103  1  0
M  END


  Mrv1652309062214202D          

 45 47  0  0  0  0            999 V2000
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  -18.1890   -1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.3468   -1.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6793   -0.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9257   -1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.5045   -1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8371   -0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0834   -0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4160   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6623   -0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9478   -0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8616    0.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3347   -0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5278   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1922    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6047    0.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3717   -0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2002   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9147   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9147   -2.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2002   -2.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2002   -3.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4857   -2.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7713   -2.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4857   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7713   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6279   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1989   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6703   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4908   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0428   -2.1545    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  1  0  0  0  0
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 27 29  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 17 43  1  0  0  0  0
 43 44  1  0  0  0  0
 14 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0231466

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCC1=C(O)\C(OC1=O)=C1/C(=O)OC2=C1C=C(O)C(O)=C2CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C38H58O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(40)31(39)27-30-32(38(43)44-35(28)30)36-34(41)29(37(42)45-36)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,39-41H,3-26H2,1-2H3/b36-32+

> <INCHI_KEY>
CUKDXKLGQVRPBL-WIKZRCHHSA-N

> <FORMULA>
C38H58O7

> <MOLECULAR_WEIGHT>
626.875

> <EXACT_MASS>
626.418254208

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
78.84383539810507

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6-dihydroxy-3-[(2E)-3-hydroxy-5-oxo-4-tridecyl-2,5-dihydrofuran-2-ylidene]-7-tridecyl-2,3-dihydro-1-benzofuran-2-one

> <JCHEM_LOGP>
12.215629900333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.800536696034134

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.325585235770861

> <JCHEM_PKA_STRONGEST_BASIC>
-6.277178202894182

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
181.94289999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5,6-dihydroxy-3-[(2E)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0     -35.360  -2.417   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -33.953  -3.044   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -32.707  -2.139   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -31.300  -2.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -30.054  -1.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -28.647  -2.486   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -27.401  -1.581   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -25.995  -2.207   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -24.749  -1.302   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -23.342  -1.928   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -22.096  -1.023   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -20.689  -1.650   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -19.443  -0.744   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -18.036  -1.371   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -16.703  -0.601   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0     -16.542   0.931   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0     -15.558  -1.631   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -14.052  -1.311   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -13.425   0.096   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0     -14.195   1.429   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -11.894  -0.065   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -11.574  -1.572   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -12.907  -2.342   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -12.907  -3.882   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -11.574  -4.652   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -11.574  -6.192   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0     -10.240  -3.882   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.906  -4.652   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0     -10.240  -2.342   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.906  -1.572   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -7.573  -2.342   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.239  -1.572   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.905  -2.342   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.572  -1.572   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.238  -2.342   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.904  -1.572   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.429  -2.342   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.763  -1.572   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.097  -2.342   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.430  -1.572   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.764  -2.342   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.098  -1.572   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -16.185  -3.038   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0     -17.716  -2.877   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0     -18.747  -4.022   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   44                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   43                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   29                                                  
CONECT   23   22   18   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   22   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   17   44                                                       
CONECT   44   43   14   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₈O₇

Average Mass

626.8750 Da

Monoisotopic Mass

626.41825 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC1=C(O)\C(OC1=O)=C1/C(=O)OC2=C1C=C(O)C(O)=C2CCCCCCCCCCCCC

InChI Identifier

InChI=1S/C38H58O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(40)31(39)27-30-32(38(43)44-35(28)30)36-34(41)29(37(42)45-36)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,39-41H,3-26H2,1-2H3/b36-32+

InChI Key

CUKDXKLGQVRPBL-WIKZRCHHSA-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
Embelia ribes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzofurans

Sub Class

Not Available

Direct Parent

Benzofurans

Alternative Parents

Substituents

Benzofuran
Coumaran
1-hydroxy-2-unsubstituted benzenoid
Phenol
2-furanone
Dicarboxylic acid or derivatives
Benzenoid
Dihydrofuran
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Enol ester
Carboxylic acid ester
Lactone
Oxacycle
Carboxylic acid derivative
Enol
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
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

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

23326596

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54678135

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one (NP0231466)

MOL for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

3D MOL for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

3D SDF for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

3D-SDF for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

PDB for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

3D PDB for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

SMILES for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

INCHI for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

Structure for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)

3D Structure for NP0231466 (5,6-dihydroxy-3-[(2e)-3-hydroxy-5-oxo-4-tridecylfuran-2-ylidene]-7-tridecyl-1-benzofuran-2-one)