NP-MRD: Showing NP-Card for Kapakahine E (NP0068755)

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Record Information

Version

2.0

Created at

2022-04-28 14:01:08 UTC

Updated at

2022-04-28 14:01:08 UTC

NP-MRD ID

NP0068755

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Kapakahine E

Description

(1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-12,21,24,27-tetrahydroxy-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octaazaoctacyclo[27.11.1.1¹,³¹.1²,⁹.0³,⁸.0¹⁶,²⁰.0³⁵,⁴⁰.0³⁴,⁴²]Tritetraconta-3,5,7,9(43),12,21,24,27,35,37,39-undecaene-15,30,33-trione belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Kapakahine E is found in Cribrochalina olemda. Based on a literature review very few articles have been published on (1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-12,21,24,27-tetrahydroxy-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octaazaoctacyclo[27.11.1.1¹,³¹.1²,⁹.0³,⁸.0¹⁶,²⁰.0³⁵,⁴⁰.0³⁴,⁴²]Tritetraconta-3,5,7,9(43),12,21,24,27,35,37,39-undecaene-15,30,33-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282216012D          

 74 84  0  0  1  0            999 V2000
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M  END

     RDKit          3D

131141  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652304282216012D          

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M  END
> <DATABASE_ID>
NP0068755

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CC2=CN(C3=CC=CC=C23)[C@@]23C[C@H](NC1=O)C(=O)N1[C@H](CC4=CC=CC=C4)C(=O)N([C@H]21)C1=CC=CC=C31

> <INCHI_IDENTIFIER>
InChI=1S/C57H57N9O8/c1-33-49(68)62-44-31-57(40-18-9-11-20-46(40)65-55(74)48(66(54(44)73)56(57)65)29-35-15-6-3-7-16-35)64-32-37(39-17-8-10-19-45(39)64)30-41(58)50(69)61-43(28-34-13-4-2-5-14-34)53(72)63-26-12-21-47(63)52(71)60-42(51(70)59-33)27-36-22-24-38(67)25-23-36/h2-11,13-20,22-25,32-33,41-44,47-48,56,67H,12,21,26-31,58H2,1H3,(H,59,70)(H,60,71)(H,61,69)(H,62,68)/t33-,41+,42-,43-,44+,47-,48-,56+,57-/m1/s1

> <INCHI_KEY>
FNMKKNOFVBFNKR-WWDVWSGSSA-N

> <FORMULA>
C57H57N9O8

> <MOLECULAR_WEIGHT>
996.138

> <EXACT_MASS>
995.433009831

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
131

> <JCHEM_AVERAGE_POLARIZABILITY>
105.54114950065832

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octaazaoctacyclo[27.11.1.1^{1,31}.1^{2,9}.0^{3,8}.0^{16,20}.0^{35,40}.0^{34,42}]tritetraconta-3,5,7,9(43),35,37,39-heptaene-12,15,21,24,27,30,33-heptone

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
3.7532825229485276

> <ALOGPS_LOGS>
-5.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.675980783000567

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.506463713532446

> <JCHEM_PKA_STRONGEST_BASIC>
7.646865229845216

> <JCHEM_POLAR_SURFACE_AREA>
228.51

> <JCHEM_REFRACTIVITY>
271.7626

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.75e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octaazaoctacyclo[27.11.1.1^{1,31}.1^{2,9}.0^{3,8}.0^{16,20}.0^{35,40}.0^{34,42}]tritetraconta-3,5,7,9(43),35,37,39-heptaene-12,15,21,24,27,30,33-heptone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       0.794  -8.351   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.248  -7.844   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.343  -6.432   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.370  -5.325   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.084  -5.832   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.372  -7.345   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -1.016  -4.606   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -0.137  -3.341   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.523  -3.196   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.987  -1.728   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.947  -0.592   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.472  -0.695   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.370   0.556   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      -1.068  -2.115   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      -2.523  -2.622   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.490  -4.161   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.716  -5.093   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.788  -1.743   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.659  -0.208   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.924   0.670   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.796   2.205   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.402   2.861   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.137   1.982   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.266   0.448   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       1.411   0.877   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       2.914   1.209   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.378   2.678   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.954   0.074   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.491  -1.395   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       5.458   0.406   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       6.498  -0.729   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.034  -2.198   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.002  -0.397   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.465   1.072   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.425   2.208   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.922   1.875   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.882   3.011   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.345   4.479   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.849   4.812   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.889   3.676   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.305   5.615   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0       9.042  -1.533   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0      10.545  -1.200   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      11.009   0.269   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      11.585  -2.336   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      11.122  -3.804   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      12.568  -4.598   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.613  -3.783   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      13.125  -2.323   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      12.161  -4.940   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      13.665  -4.607   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      11.698  -6.408   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      12.738  -7.544   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      12.274  -9.013   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      13.314 -10.149   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      12.851 -11.617   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.347 -11.950   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      10.307 -10.814   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      10.771  -9.346   0.000  0.00  0.00           C+0
HETATM   60  N   UNK     0      10.194  -6.741   0.000  0.00  0.00           N+0
HETATM   61  C   UNK     0       9.154  -5.605   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       9.618  -4.137   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       7.651  -5.938   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       6.611  -4.802   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       5.107  -5.135   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       4.212  -6.388   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       2.744  -5.925   0.000  0.00  0.00           C+0
HETATM   68  N   UNK     0       2.563  -4.332   0.000  0.00  0.00           N+0
HETATM   69  C   UNK     0       4.067  -3.999   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       1.608  -6.965   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       1.941  -8.468   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       3.409  -8.932   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       4.545  -7.892   0.000  0.00  0.00           C+0
HETATM   74  N   UNK     0       7.187  -7.407   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   16                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8    4   10   68                                             
CONECT   10    9   11                                                       
CONECT   11   10   12   25                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    8   15                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15    7   17                                                  
CONECT   17   16                                                            
CONECT   18   15   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   11   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   42                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39   35                                                       
CONECT   41   38                                                            
CONECT   42   33   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   49                                                  
CONECT   46   45   47   50                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   45                                                       
CONECT   50   46   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   60                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   59                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   54                                                       
CONECT   60   52   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61   64   74                                                  
CONECT   64   63   65                                                       
CONECT   65   64   66   69                                                  
CONECT   66   65   67   73                                                  
CONECT   67   66   68   70                                                  
CONECT   68   67    9   69                                                  
CONECT   69   68   65                                                       
CONECT   70   67   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   66                                                       
CONECT   74   63                                                            
MASTER        0    0    0    0    0    0    0    0   74    0  168    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₇H₅₇N₉O₈

Average Mass

996.1380 Da

Monoisotopic Mass

995.43301 Da

IUPAC Name

(1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octaazaoctacyclo[27.11.1.1^{1,31}.1^{2,9}.0^{3,8}.0^{16,20}.0^{35,40}.0^{34,42}]tritetraconta-3,5,7,9(43),35,37,39-heptaene-12,15,21,24,27,30,33-heptone

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CC2=CN(C3=CC=CC=C23)[C@@]23C[C@H](NC1=O)C(=O)N1[C@H](CC4=CC=CC=C4)C(=O)N([C@H]21)C1=CC=CC=C31

InChI Identifier

InChI=1S/C57H57N9O8/c1-33-49(68)62-44-31-57(40-18-9-11-20-46(40)65-55(74)48(66(54(44)73)56(57)65)29-35-15-6-3-7-16-35)64-32-37(39-17-8-10-19-45(39)64)30-41(58)50(69)61-43(28-34-13-4-2-5-14-34)53(72)63-26-12-21-47(63)52(71)60-42(51(70)59-33)27-36-22-24-38(67)25-23-36/h2-11,13-20,22-25,32-33,41-44,47-48,56,67H,12,21,26-31,58H2,1H3,(H,59,70)(H,60,71)(H,61,69)(H,62,68)/t33-,41+,42-,43-,44+,47-,48-,56+,57-/m1/s1

InChI Key

FNMKKNOFVBFNKR-WWDVWSGSSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Cribrochalina olemda	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
Pyridoindolone
Alpha-carboline
3-alkylindole
Alpha-amino acid or derivatives
Indole or derivatives
Indole
Imidazopyridine
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Piperidinone
Phenol
Delta-lactam
Benzenoid
Pyridine
Piperidine
Imidazolidinone
Monocyclic benzene moiety
Heteroaromatic compound
Cyclic carboximidic acid
Tertiary carboxylic acid amide
Pyrrolidine
Pyrrole
Imidazolidine
Lactam
Carboxamide group
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
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	3.74	ALOGPS
logP	3.75	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	9.51	ChemAxon
pKa (Strongest Basic)	7.65	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	228.51 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	271.76 m³·mol⁻¹	ChemAxon
Polarizability	105.54 Å³	ChemAxon
Number of Rings	11	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

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

162974435

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Kapakahine E (NP0068755)

MOL for NP0068755 (Kapakahine E)

3D MOL for NP0068755 (Kapakahine E)

3D SDF for NP0068755 (Kapakahine E)

3D-SDF for NP0068755 (Kapakahine E)

PDB for NP0068755 (Kapakahine E)

3D PDB for NP0068755 (Kapakahine E)

SMILES for NP0068755 (Kapakahine E)

INCHI for NP0068755 (Kapakahine E)

Structure for NP0068755 (Kapakahine E)

3D Structure for NP0068755 (Kapakahine E)