NP-MRD: Showing NP-Card for balanophotannin F (NP0033705)

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Record Information

Version

1.0

Created at

2021-06-20 17:38:55 UTC

Updated at

2021-06-30 00:03:39 UTC

NP-MRD ID

NP0033705

Secondary Accession Numbers

None

Natural Product Identification

Common Name

balanophotannin F

Provided By

JEOL Database JEOL Logo

Description

Balanophotannin F belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. balanophotannin F is found in Balanophora japonica. It was first documented in 2008 (PMID: 18302336). Based on a literature review very few articles have been published on Balanophotannin F (PMID: 30576141).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202119383D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306202119383D          

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M  END
> <DATABASE_ID>
NP0033705

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])[C@]1([H])C(=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])O[C@]2([H])C([H])([H])OC(=O)C2=C([H])C(O[H])=C(O[H])C3=C2[C@@]1([H])C(=O)O3

> <INCHI_IDENTIFIER>
InChI=1S/C28H24O17/c29-12-3-1-9(5-13(12)30)2-4-17(34)43-28-22(37)21(36)23-15(42-28)8-41-25(38)10-6-14(31)20(35)24-18(10)19(27(40)45-24)11(7-16(32)33)26(39)44-23/h1-6,11,15,19,21-23,28-31,35-37H,7-8H2,(H,32,33)/b4-2+/t11-,15+,19-,21+,22+,23+,28-/m0/s1

> <INCHI_KEY>
ZOLLYZCOBHDSOG-QUKFQQCQSA-N

> <FORMULA>
C28H24O17

> <MOLECULAR_WEIGHT>
632.483

> <EXACT_MASS>
632.101349313

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
59.14030657774081

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(5R,7S,8R,9R,10S,13S,14S)-7-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-8,9,18,19-tetrahydroxy-2,12,15-trioxo-3,6,11,16-tetraoxatetracyclo[12.6.1.0^{5,10}.0^{17,21}]henicosa-1(20),17(21),18-trien-13-yl]acetic acid

> <ALOGPS_LOGP>
1.68

> <JCHEM_LOGP>
1.2998425213333324

> <ALOGPS_LOGS>
-2.53

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.4880038492308065

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1820096193963567

> <JCHEM_PKA_STRONGEST_BASIC>
-3.693839887134337

> <JCHEM_POLAR_SURFACE_AREA>
273.10999999999996

> <JCHEM_REFRACTIVITY>
141.22259999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.86e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(5R,7S,8R,9R,10S,13S,14S)-7-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-8,9,18,19-tetrahydroxy-2,12,15-trioxo-3,6,11,16-tetraoxatetracyclo[12.6.1.0^{5,10}.0^{17,21}]henicosa-1(20),17(21),18-trien-13-yl]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  O   UNK     0      -0.415   0.164  -4.513  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.591   0.269  -4.211  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.321   1.318  -4.636  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.419  -0.684  -3.382  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.641  -1.832  -2.702  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.000  -1.285  -1.449  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.210  -1.735  -0.332  0.00  0.00           O+0
HETATM    8  O   UNK     0      -0.141  -0.283  -1.734  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.633   0.333  -0.684  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.572  -0.631   0.062  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.463  -1.427  -0.906  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.707  -2.366  -1.695  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.336  -3.489  -1.036  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.629  -3.772   0.114  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.555  -4.380  -1.927  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.670  -5.760  -1.657  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.044  -6.695  -2.477  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.187  -8.023  -2.200  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.696  -6.288  -3.575  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.269  -7.231  -4.376  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.818  -4.933  -3.818  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.242  -3.969  -3.001  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.632  -2.633  -3.557  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.324  -3.075  -4.856  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.736  -2.332  -5.735  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.500  -4.448  -4.914  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.406   0.127   0.950  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.654   0.763   1.996  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.611   1.443   2.827  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.197   1.727   4.079  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.069   1.527   4.509  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.257   2.347   4.897  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.512   2.554   4.470  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.556   3.182   5.293  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.698   2.897   6.662  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.717   3.490   7.412  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.599   4.357   6.789  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.595   4.936   7.521  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.481   4.637   5.431  0.00  0.00           C+0
HETATM   40  O   UNK     0       8.390   5.498   4.879  0.00  0.00           O+0
HETATM   41  C   UNK     0       6.470   4.051   4.675  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.640   1.772   1.396  0.00  0.00           C+0
HETATM   43  O   UNK     0      -0.264   2.372   2.341  0.00  0.00           O+0
HETATM   44  C   UNK     0      -0.230   1.099   0.324  0.00  0.00           C+0
HETATM   45  O   UNK     0      -1.005   2.103  -0.353  0.00  0.00           O+0
HETATM   46  H   UNK     0      -1.692   1.851  -5.166  0.00  0.00           H+0
HETATM   47  H   UNK     0      -3.192  -1.104  -4.036  0.00  0.00           H+0
HETATM   48  H   UNK     0      -2.931  -0.090  -2.614  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.414  -2.531  -2.345  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.250   1.077  -1.206  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.992  -1.339   0.663  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.966  -0.745  -1.602  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.268  -1.943  -0.368  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.266  -6.112  -0.816  0.00  0.00           H+0
HETATM   55  H   UNK     0      -0.320  -8.489  -2.896  0.00  0.00           H+0
HETATM   56  H   UNK     0      -1.725  -6.758  -5.099  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.273  -2.080  -3.822  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.148  -0.014   2.585  0.00  0.00           H+0
HETATM   59  H   UNK     0       2.932   2.636   5.891  0.00  0.00           H+0
HETATM   60  H   UNK     0       4.814   2.275   3.462  0.00  0.00           H+0
HETATM   61  H   UNK     0       5.026   2.202   7.160  0.00  0.00           H+0
HETATM   62  H   UNK     0       6.824   3.271   8.470  0.00  0.00           H+0
HETATM   63  H   UNK     0       9.081   5.492   6.880  0.00  0.00           H+0
HETATM   64  H   UNK     0       8.184   5.596   3.934  0.00  0.00           H+0
HETATM   65  H   UNK     0       6.380   4.268   3.615  0.00  0.00           H+0
HETATM   66  H   UNK     0       1.190   2.607   0.945  0.00  0.00           H+0
HETATM   67  H   UNK     0      -0.067   2.031   3.240  0.00  0.00           H+0
HETATM   68  H   UNK     0      -0.961   0.440   0.805  0.00  0.00           H+0
HETATM   69  H   UNK     0      -1.380   2.659   0.362  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    4    3    1                                                  
CONECT    3    2   46                                                       
CONECT    4    5    2   47   48                                             
CONECT    5   23    4    6   49                                             
CONECT    6    8    7    5                                                  
CONECT    7    6                                                            
CONECT    8    9    6                                                       
CONECT    9   44   10    8   50                                             
CONECT   10    9   27   11   51                                             
CONECT   11   10   12   52   53                                             
CONECT   12   13   11                                                       
CONECT   13   14   12   15                                                  
CONECT   14   13                                                            
CONECT   15   16   22   13                                                  
CONECT   16   15   17   54                                                  
CONECT   17   19   16   18                                                  
CONECT   18   17   55                                                       
CONECT   19   20   17   21                                                  
CONECT   20   19   56                                                       
CONECT   21   22   26   19                                                  
CONECT   22   21   23   15                                                  
CONECT   23   24   22    5   57                                             
CONECT   24   26   23   25                                                  
CONECT   25   24                                                            
CONECT   26   21   24                                                       
CONECT   27   10   28                                                       
CONECT   28   42   27   29   58                                             
CONECT   29   30   28                                                       
CONECT   30   32   29   31                                                  
CONECT   31   30                                                            
CONECT   32   33   30   59                                                  
CONECT   33   34   32   60                                                  
CONECT   34   41   33   35                                                  
CONECT   35   36   34   61                                                  
CONECT   36   37   35   62                                                  
CONECT   37   39   36   38                                                  
CONECT   38   37   63                                                       
CONECT   39   41   37   40                                                  
CONECT   40   39   64                                                       
CONECT   41   34   39   65                                                  
CONECT   42   28   44   43   66                                             
CONECT   43   42   67                                                       
CONECT   44   42    9   45   68                                             
CONECT   45   44   69                                                       
CONECT   46    3                                                            
CONECT   47    4                                                            
CONECT   48    4                                                            
CONECT   49    5                                                            
CONECT   50    9                                                            
CONECT   51   10                                                            
CONECT   52   11                                                            
CONECT   53   11                                                            
CONECT   54   16                                                            
CONECT   55   18                                                            
CONECT   56   20                                                            
CONECT   57   23                                                            
CONECT   58   28                                                            
CONECT   59   32                                                            
CONECT   60   33                                                            
CONECT   61   35                                                            
CONECT   62   36                                                            
CONECT   63   38                                                            
CONECT   64   40                                                            
CONECT   65   41                                                            
CONECT   66   42                                                            
CONECT   67   43                                                            
CONECT   68   44                                                            
CONECT   69   45                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  146    0
END

RDKit          3D

69 73  0  0  0  0  0  0  0  0999 V2000
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 10 51  1  1
 35 61  1  0
 41 65  1  0
 36 62  1  0
 38 63  1  0
 40 64  1  0
 33 60  1  0
 32 59  1  0
 23 57  1  6
  4 47  1  0
  4 48  1  0
  3 46  1  0
  5 49  1  1
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₂₄O₁₇

Average Mass

632.4830 Da

Monoisotopic Mass

632.10135 Da

IUPAC Name

2-[(5R,7S,8R,9R,10S,13S,14S)-7-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-8,9,18,19-tetrahydroxy-2,12,15-trioxo-3,6,11,16-tetraoxatetracyclo[12.6.1.0^{5,10}.0^{17,21}]henicosa-1(20),17(21),18-trien-13-yl]acetic acid

Traditional Name

[(5R,7S,8R,9R,10S,13S,14S)-7-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-8,9,18,19-tetrahydroxy-2,12,15-trioxo-3,6,11,16-tetraoxatetracyclo[12.6.1.0^{5,10}.0^{17,21}]henicosa-1(20),17(21),18-trien-13-yl]acetic acid

CAS Registry Number

Not Available

SMILES

[H]OC(=O)C([H])([H])[C@]1([H])C(=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C(\[H])=C(/[H])C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])O[C@]2([H])C([H])([H])OC(=O)C2=C([H])C(O[H])=C(O[H])C3=C2[C@@]1([H])C(=O)O3

InChI Identifier

InChI=1S/C28H24O17/c29-12-3-1-9(5-13(12)30)2-4-17(34)43-28-22(37)21(36)23-15(42-28)8-41-25(38)10-6-14(31)20(35)24-18(10)19(27(40)45-24)11(7-16(32)33)26(39)44-23/h1-6,11,15,19,21-23,28-31,35-37H,7-8H2,(H,32,33)/b4-2+/t11-,15+,19-,21+,22+,23+,28-/m0/s1

InChI Key

ZOLLYZCOBHDSOG-QUKFQQCQSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD (H), C₅D₅N (C), simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD (H), C₅D₅N (C), 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
Balanophora japonica	JEOL database	Jiang, Z. -H., et al, J. Nat. Prod. 71, 719 (2008)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Hydroxycinnamic acid glycoside
Saccharolipid
Pentacarboxylic acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Cinnamic acid or derivatives
Coumaric acid or derivatives
Gallic acid or derivatives
Dihydroxybenzoic acid
Benzofuran
Coumaran
Catechol
Styrene
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Monosaccharide
Oxane
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
1,2-diol
Lactone
Carboxylic acid ester
Polyol
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Carboxylic acid
Oxacycle
Carbonyl group
Organooxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
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
logP	1.68	ALOGPS
logP	1.3	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	3.18	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	273.11 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	141.22 m³·mol⁻¹	ChemAxon
Polarizability	59.14 Å³	ChemAxon
Number of Rings	5	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

23340739

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24862009

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Jiang ZH, Wen XY, Tanaka T, Wu SY, Liu Z, Iwata H, Hirose Y, Wu S, Kouno I: Cytotoxic hydrolyzable tannins from Balanophora japonica. J Nat Prod. 2008 Apr;71(4):719-23. doi: 10.1021/np070519+. Epub 2008 Feb 27. [PubMed:18302336 ]
Era M, Matsuo Y, Saito Y, Nishida K, Jiang ZH, Tanaka T: Ellagitannins and Related Compounds from Penthorum chinense. J Nat Prod. 2019 Jan 25;82(1):129-135. doi: 10.1021/acs.jnatprod.8b00838. Epub 2018 Dec 21. [PubMed:30576141 ]
Jiang, Z. -H., et al. (2008). Jiang, Z. -H., et al, J. Nat. Prod. 71, 719 (2008) . J. Nat. Prod..

Showing NP-Card for balanophotannin F (NP0033705)

MOL for NP0033705 (balanophotannin F)

3D MOL for NP0033705 (balanophotannin F)

3D SDF for NP0033705 (balanophotannin F)

3D-SDF for NP0033705 (balanophotannin F)

PDB for NP0033705 (balanophotannin F)

3D PDB for NP0033705 (balanophotannin F)

SMILES for NP0033705 (balanophotannin F)

INCHI for NP0033705 (balanophotannin F)

Structure for NP0033705 (balanophotannin F)

3D Structure for NP0033705 (balanophotannin F)