NP-MRD: Showing NP-Card for 16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione (NP0287634)

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Record Information

Version

2.0

Created at

2022-09-09 16:53:33 UTC

Updated at

2022-09-09 16:53:34 UTC

NP-MRD ID

NP0287634

Secondary Accession Numbers

None

Natural Product Identification

Common Name

16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione

Description

16,19-Dibenzyl-22-(butan-2-yl)-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]Tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione is found in Linum usitatissimum. Based on a literature review very few articles have been published on 16,19-dibenzyl-22-(butan-2-yl)-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]Tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092218542D          

 69 74  0  0  0  0            999 V2000
   12.8931    5.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0923    4.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7056    4.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6977    3.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2915    3.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0844    3.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2836    2.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8773    3.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6703    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2640    3.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0569    3.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2561    2.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6624    2.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8695    2.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0765    2.5238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7448    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5260    4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3268    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2731    3.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
  6  5  1  4  0  0  0
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M  END

     RDKit          3D

144149  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309092218542D          

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M  END
> <DATABASE_ID>
NP0287634

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C(O)C2CCCN2C(=O)C2CCCN2C(=O)C2CC(CN2C)N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C52H75N9O8/c1-8-33(6)44-50(67)57-38(26-32(4)5)46(63)54-37(25-31(2)3)45(62)53-36-29-43(59(7)30-36)52(69)61-24-16-22-42(61)51(68)60-23-15-21-41(60)49(66)56-39(27-34-17-11-9-12-18-34)47(64)55-40(48(65)58-44)28-35-19-13-10-14-20-35/h9-14,17-20,31-33,36-44H,8,15-16,21-30H2,1-7H3,(H,53,62)(H,54,63)(H,55,64)(H,56,66)(H,57,67)(H,58,65)

> <INCHI_KEY>
XRTMFBBEUNQBQI-UHFFFAOYSA-N

> <FORMULA>
C52H75N9O8

> <MOLECULAR_WEIGHT>
954.227

> <EXACT_MASS>
953.573860411

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
144

> <JCHEM_AVERAGE_POLARIZABILITY>
102.85413479930038

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
16,19-dibenzyl-22-(butan-2-yl)-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0^{3,7}.0^{9,13}]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione

> <JCHEM_LOGP>
4.678637252710816

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.1386632724037575

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4488880644183402

> <JCHEM_PKA_STRONGEST_BASIC>
7.219299354673977

> <JCHEM_POLAR_SURFACE_AREA>
239.39999999999995

> <JCHEM_REFRACTIVITY>
262.9065000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0^{3,7}.0^{9,13}]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      24.067  10.045   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.439   8.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.331   7.481   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.850   7.906   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.702   5.987   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      24.811   7.056   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      26.291   6.631   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      27.399   7.700   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      26.663   5.136   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.771   6.206   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      29.251   5.780   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      30.359   6.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.840   6.424   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      32.211   4.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.103   3.861   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      29.623   4.286   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      28.143   4.711   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      28.515   3.217   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      29.995   2.792   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      27.406   2.147   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      27.778   0.653   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      29.258   0.228   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.367   1.297   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      31.847   0.872   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      32.219  -0.623   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      31.110  -1.692   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      29.630  -1.267   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      25.926   2.573   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      24.930   1.690   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      25.190   0.009   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      23.338   1.929   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      24.697   1.205   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      24.429  -0.311   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      22.904  -0.525   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      22.229   0.859   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      20.749   1.285   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      20.378   2.779   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      19.641   0.215   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      19.694  -1.324   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      18.247  -1.850   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      17.486  -0.748   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      18.161   0.641   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0      17.053  -0.429   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      17.424  -1.923   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      15.572  -0.003   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      15.201   1.491   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      13.720   1.916   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.119   0.431   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0      14.188  -0.678   0.000  0.00  0.00           N+0
HETATM   50  C   UNK     0      13.920  -2.194   0.000  0.00  0.00           C+0
HETATM   51  N   UNK     0      13.349   3.411   0.000  0.00  0.00           N+0
HETATM   52  C   UNK     0      14.457   4.480   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      14.085   5.974   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      15.937   4.055   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      15.565   5.549   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      17.010   7.178   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      16.302   8.113   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      18.154   6.193   0.000  0.00  0.00           C+0
HETATM   59  N   UNK     0      17.045   5.124   0.000  0.00  0.00           N+0
HETATM   60  C   UNK     0      18.526   4.699   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      18.897   3.204   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      19.634   5.768   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      19.262   7.262   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      17.782   7.688   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      16.674   6.618   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      17.410   9.182   0.000  0.00  0.00           C+0
HETATM   67  N   UNK     0      21.114   5.343   0.000  0.00  0.00           N+0
HETATM   68  C   UNK     0      22.222   6.412   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      21.043   7.402   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   68                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17    9   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   20   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   35                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   31   36                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   38   43                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   49                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   51                                                  
CONECT   48   47   49                                                       
CONECT   49   48   45   50                                                  
CONECT   50   49                                                            
CONECT   51   47   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   59                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59   54   60                                                       
CONECT   60   59   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63   67                                                  
CONECT   63   62   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64                                                            
CONECT   67   62   68                                                       
CONECT   68   67    5   69                                                  
CONECT   69   68                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  148    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₂H₇₅N₉O₈

Average Mass

954.2270 Da

Monoisotopic Mass

953.57386 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C(O)C2CCCN2C(=O)C2CCCN2C(=O)C2CC(CN2C)N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C1O

InChI Identifier

InChI=1S/C52H75N9O8/c1-8-33(6)44-50(67)57-38(26-32(4)5)46(63)54-37(25-31(2)3)45(62)53-36-29-43(59(7)30-36)52(69)61-24-16-22-42(61)51(68)60-23-15-21-41(60)49(66)56-39(27-34-17-11-9-12-18-34)47(64)55-40(48(65)58-44)28-35-19-13-10-14-20-35/h9-14,17-20,31-33,36-44H,8,15-16,21-30H2,1-7H3,(H,53,62)(H,54,63)(H,55,64)(H,56,66)(H,57,67)(H,58,65)

InChI Key

XRTMFBBEUNQBQI-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
Linum usitatissimum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
Monocyclic benzene moiety
N-alkylpyrrolidine
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Lactam
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Azacycle
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Amine
Hydrocarbon derivative
Organic oxygen 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

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

163192466

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione (NP0287634)

MOL for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

3D MOL for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

3D SDF for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

3D-SDF for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

PDB for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

3D PDB for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

SMILES for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

INCHI for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

Structure for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)

3D Structure for NP0287634 (16,19-dibenzyl-14,17,20,23,26,29-hexahydroxy-33-methyl-25,28-bis(2-methylpropyl)-22-(sec-butyl)-3,9,15,18,21,24,27,30,33-nonaazatetracyclo[29.2.1.0³,⁷.0⁹,¹³]tetratriaconta-14,17,20,23,26,29-hexaene-2,8-dione)