NP-MRD: Showing NP-Card for trigoxyphin S (NP0042662)

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Record Information

Version

2.0

Created at

2021-06-21 00:16:15 UTC

Updated at

2021-06-30 00:17:52 UTC

NP-MRD ID

NP0042662

Secondary Accession Numbers

None

Natural Product Identification

Common Name

trigoxyphin S

Provided By

JEOL Database JEOL Logo

Description

Trigoxyphin S belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. trigoxyphin S is found in Trigonostemon xyphophylloides. trigoxyphin S was first documented in 2013 (Yang, B., et al.). Based on a literature review very few articles have been published on Trigoxyphin S.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212102163D          

 67 72  0  0  0  0            999 V2000
    3.7326    2.0093    2.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873    0.8273    2.5121 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838   -0.3745    2.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090   -0.5417    2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9573   -1.8012    1.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213   -2.9127    1.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937   -2.7570    1.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349   -1.4893    2.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095   -1.3416    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004   -4.2912    1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397   -5.2682    1.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405   -4.4729    1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0246   -3.4129    1.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5216   -2.0438    1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619   -1.1592    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3171    2.5240    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    3.5866    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  2  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652306212102163D          

 67 72  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0042662

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(C([H])=C2C(=O)C([H])=C3C(=C(C(=O)C3(C([H])([H])[H])C([H])([H])[H])C3=C4C(=C([H])C(=O)C5=C4C([H])=C(OC([H])([H])[H])C(=C5[H])C([H])([H])[H])C(C3=O)(C([H])([H])[H])C([H])([H])[H])C2=C1[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C33H28O6/c1-14-8-16-18(10-22(14)34)26-20(12-23(16)35)32(3,4)30(37)28(26)29-27-19-11-25(39-7)15(2)9-17(19)24(36)13-21(27)33(5,6)31(29)38/h8-13,34H,1-7H3

> <INCHI_KEY>
DSUDEJYQXBZKDZ-UHFFFAOYSA-N

> <FORMULA>
C33H28O6

> <MOLECULAR_WEIGHT>
520.581

> <EXACT_MASS>
520.188588622

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
55.962740034027235

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-{8-hydroxy-3,3,7-trimethyl-2,5-dioxo-2H,3H,5H-cyclopenta[a]naphthalen-1-yl}-8-methoxy-3,3,7-trimethyl-2H,3H,5H-cyclopenta[a]naphthalene-2,5-dione

> <ALOGPS_LOGP>
5.21

> <JCHEM_LOGP>
5.6095502206666685

> <ALOGPS_LOGS>
-5.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.912869128538706

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.665734877366692

> <JCHEM_PKA_STRONGEST_BASIC>
-4.830669755765396

> <JCHEM_POLAR_SURFACE_AREA>
97.74000000000001

> <JCHEM_REFRACTIVITY>
151.42249999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.75e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-{8-hydroxy-3,3,7-trimethyl-2,5-dioxocyclopenta[a]naphthalen-1-yl}-8-methoxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 67 72  0  0  0  0  0  0  0  0999 V2000
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 39 66  1  0
 39 67  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0       3.733   2.009   2.276  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.487   0.827   2.512  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.884  -0.375   2.246  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.509  -0.542   2.022  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.957  -1.801   1.736  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.821  -2.913   1.751  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.194  -2.757   1.990  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.735  -1.489   2.231  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.210  -1.342   2.486  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.300  -4.291   1.546  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.040  -5.268   1.519  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.841  -4.473   1.389  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.025  -3.413   1.345  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.522  -2.044   1.439  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.462  -1.159   1.190  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.507   0.266   1.117  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.042   1.159   0.226  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.317   2.524   0.662  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.222   3.587   0.052  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.122   3.408  -1.111  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.690   4.380  -1.594  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.300   2.037  -1.661  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.058   1.888  -2.835  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.223   0.631  -3.429  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.040   0.505  -4.681  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.593  -0.461  -2.829  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.663  -1.728  -3.334  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.839  -0.317  -1.660  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.703   0.927  -1.035  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.196   2.534   1.891  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.624   2.981   1.583  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.595   3.311   3.062  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.178   1.049   2.188  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.626   0.532   3.204  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.698  -1.953   0.958  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.762  -1.438   0.634  0.00  0.00           O+0
HETATM   37  C   UNK     0      -1.471  -3.438   1.133  0.00  0.00           C+0
HETATM   38  C   UNK     0      -1.891  -4.183  -0.134  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.228  -3.935   2.364  0.00  0.00           C+0
HETATM   40  H   UNK     0       2.928   2.111   3.011  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.404   2.865   2.398  0.00  0.00           H+0
HETATM   42  H   UNK     0       3.341   2.037   1.254  0.00  0.00           H+0
HETATM   43  H   UNK     0       1.865   0.321   2.100  0.00  0.00           H+0
HETATM   44  H   UNK     0       4.841  -3.634   1.995  0.00  0.00           H+0
HETATM   45  H   UNK     0       6.654  -0.652   1.761  0.00  0.00           H+0
HETATM   46  H   UNK     0       6.382  -0.965   3.499  0.00  0.00           H+0
HETATM   47  H   UNK     0       6.732  -2.300   2.392  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.493  -5.495   1.294  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.055   4.607   0.376  0.00  0.00           H+0
HETATM   50  H   UNK     0       2.514   2.768  -3.289  0.00  0.00           H+0
HETATM   51  H   UNK     0       3.476   1.465  -4.978  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.413   0.155  -5.508  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.865  -0.197  -4.527  0.00  0.00           H+0
HETATM   54  H   UNK     0       2.205  -1.732  -4.139  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.356  -1.209  -1.278  0.00  0.00           H+0
HETATM   56  H   UNK     0      -3.068   2.392   0.773  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.655   4.035   1.287  0.00  0.00           H+0
HETATM   58  H   UNK     0      -3.270   2.859   2.460  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.419   2.966   3.296  0.00  0.00           H+0
HETATM   60  H   UNK     0      -1.195   3.179   3.970  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.546   4.384   2.849  0.00  0.00           H+0
HETATM   62  H   UNK     0      -1.363  -3.804  -1.017  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.687  -5.257  -0.055  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.964  -4.062  -0.324  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.956  -3.369   3.263  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.020  -4.993   2.559  0.00  0.00           H+0
HETATM   67  H   UNK     0      -3.310  -3.824   2.231  0.00  0.00           H+0
CONECT    1    2   40   41   42                                             
CONECT    2    3    1                                                       
CONECT    3    4    8    2                                                  
CONECT    4    5    3   43                                                  
CONECT    5    6    4   14                                                  
CONECT    6    5   10    7                                                  
CONECT    7    8    6   44                                                  
CONECT    8    9    3    7                                                  
CONECT    9    8   45   46   47                                             
CONECT   10    6   12   11                                                  
CONECT   11   10                                                            
CONECT   12   10   13   48                                                  
CONECT   13   14   12   37                                                  
CONECT   14   13   15    5                                                  
CONECT   15   14   35   16                                                  
CONECT   16   17   33   15                                                  
CONECT   17   29   18   16                                                  
CONECT   18   19   17   30                                                  
CONECT   19   18   20   49                                                  
CONECT   20   22   19   21                                                  
CONECT   21   20                                                            
CONECT   22   23   29   20                                                  
CONECT   23   22   24   50                                                  
CONECT   24   23   26   25                                                  
CONECT   25   24   51   52   53                                             
CONECT   26   24   28   27                                                  
CONECT   27   26   54                                                       
CONECT   28   26   29   55                                                  
CONECT   29   28   22   17                                                  
CONECT   30   33   18   31   32                                             
CONECT   31   30   56   57   58                                             
CONECT   32   30   59   60   61                                             
CONECT   33   16   30   34                                                  
CONECT   34   33                                                            
CONECT   35   15   37   36                                                  
CONECT   36   35                                                            
CONECT   37   35   13   38   39                                             
CONECT   38   37   62   63   64                                             
CONECT   39   37   65   66   67                                             
CONECT   40    1                                                            
CONECT   41    1                                                            
CONECT   42    1                                                            
CONECT   43    4                                                            
CONECT   44    7                                                            
CONECT   45    9                                                            
CONECT   46    9                                                            
CONECT   47    9                                                            
CONECT   48   12                                                            
CONECT   49   19                                                            
CONECT   50   23                                                            
CONECT   51   25                                                            
CONECT   52   25                                                            
CONECT   53   25                                                            
CONECT   54   27                                                            
CONECT   55   28                                                            
CONECT   56   31                                                            
CONECT   57   31                                                            
CONECT   58   31                                                            
CONECT   59   32                                                            
CONECT   60   32                                                            
CONECT   61   32                                                            
CONECT   62   38                                                            
CONECT   63   38                                                            
CONECT   64   38                                                            
CONECT   65   39                                                            
CONECT   66   39                                                            
CONECT   67   39                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  144    0
END

RDKit          3D

67 72  0  0  0  0  0  0  0  0999 V2000
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   -3.3099   -3.8236    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0
 22 23  2  0
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  1 40  1  0
  1 41  1  0
  1 42  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₂₈O₆

Average Mass

520.5810 Da

Monoisotopic Mass

520.18859 Da

IUPAC Name

1-{8-hydroxy-3,3,7-trimethyl-2,5-dioxo-2H,3H,5H-cyclopenta[a]naphthalen-1-yl}-8-methoxy-3,3,7-trimethyl-2H,3H,5H-cyclopenta[a]naphthalene-2,5-dione

Traditional Name

1-{8-hydroxy-3,3,7-trimethyl-2,5-dioxocyclopenta[a]naphthalen-1-yl}-8-methoxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione

CAS Registry Number

Not Available

SMILES

[H]OC1=C(C([H])=C2C(=O)C([H])=C3C(=C(C(=O)C3(C([H])([H])[H])C([H])([H])[H])C3=C4C(=C([H])C(=O)C5=C4C([H])=C(OC([H])([H])[H])C(=C5[H])C([H])([H])[H])C(C3=O)(C([H])([H])[H])C([H])([H])[H])C2=C1[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C33H28O6/c1-14-8-16-18(10-22(14)34)26-20(12-23(16)35)32(3,4)30(37)28(26)29-27-19-11-25(39-7)15(2)9-17(19)24(36)13-21(27)33(5,6)31(29)38/h8-13,34H,1-7H3

InChI Key

DSUDEJYQXBZKDZ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃ + CD₃OD (v/v 2:1)., simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Trigonostemon xyphophylloides	JEOL database	Yang, B., et al, Tetrahedron Lett. 54, 6434 (2013)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Anisole
Aryl ketone
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Ketone
Cyclic ketone
Ether
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	5.21	ALOGPS
logP	5.61	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	7.67	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	97.74 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	151.42 m³·mol⁻¹	ChemAxon
Polarizability	55.96 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	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

73213225

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang, B., et al. (2013). Yang, B., et al, Tetrahedron Lett. 54, 6434 (2013). Tetrahedron Lett.

Showing NP-Card for trigoxyphin S (NP0042662)

MOL for NP0042662 (trigoxyphin S)

3D MOL for NP0042662 (trigoxyphin S)

3D SDF for NP0042662 (trigoxyphin S)

3D-SDF for NP0042662 (trigoxyphin S)

PDB for NP0042662 (trigoxyphin S)

3D PDB for NP0042662 (trigoxyphin S)

SMILES for NP0042662 (trigoxyphin S)

INCHI for NP0042662 (trigoxyphin S)

Structure for NP0042662 (trigoxyphin S)

3D Structure for NP0042662 (trigoxyphin S)