NP-MRD: Showing NP-Card for 1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione (NP0240475)

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Record Information

Version

2.0

Created at

2022-09-07 00:18:11 UTC

Updated at

2022-09-07 00:18:11 UTC

NP-MRD ID

NP0240475

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione

Description

Galtamycin belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. 1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione was first documented in 2005 (PMID: 15835721). Based on a literature review a small amount of articles have been published on Galtamycin (PMID: 30486371) (PMID: 25319239) (PMID: 19384899) (PMID: 15835722).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072202182D          

 58 65  0  0  0  0            999 V2000
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8592    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 33 40  1  0  0  0  0
 31 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 29 45  1  0  0  0  0
 27 46  1  0  0  0  0
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 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 16 56  1  0  0  0  0
 56 57  1  0  0  0  0
  8 57  1  0  0  0  0
 57 58  2  0  0  0  0
M  END

     RDKit          3D

110117  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0240475

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(CCC1O)OC1CC(OC2CCC(OC3CC(OC(C)C3O)C3=CC=C4C(=O)C5=C(O)C6=CC(C)=CC(O)=C6C=C5C(=O)C4=C3O)OC2C)OC(C)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C43H52O15/c1-17-12-25-24(28(45)13-17)14-26-37(42(25)50)41(49)23-7-6-22(40(48)36(23)43(26)51)30-15-31(38(46)20(4)52-30)57-34-11-9-29(19(3)54-34)56-35-16-32(39(47)21(5)55-35)58-33-10-8-27(44)18(2)53-33/h6-7,12-14,18-21,27,29-35,38-39,44-48,50H,8-11,15-16H2,1-5H3

> <INCHI_KEY>
KQEPMSUORBBRDK-UHFFFAOYSA-N

> <FORMULA>
C43H52O15

> <MOLECULAR_WEIGHT>
808.874

> <EXACT_MASS>
808.330620974

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
110

> <JCHEM_AVERAGE_POLARIZABILITY>
88.01492371999191

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyl-5,12-dihydrotetracene-5,12-dione

> <JCHEM_LOGP>
5.7382346803333295

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.05895255669776

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.458885870725281

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1508467822767194

> <JCHEM_POLAR_SURFACE_AREA>
220.12999999999997

> <JCHEM_REFRACTIVITY>
205.55150000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -10.669   4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0     -10.669   6.160   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -12.003   8.470   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -13.337   9.240   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0     -13.337  10.780   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -14.670  11.550   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -14.670  13.090   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -13.337  13.860   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0     -13.337  15.400   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0     -12.003  13.090   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -10.669  13.860   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -12.003  11.550   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -10.669  10.780   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   57                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    6   13                                                  
CONECT   13   12    2                                                       
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   56                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   54                                                  
CONECT   20   19   21   53                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   49                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   48                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   46                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   45                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   41                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33                                                       
CONECT   41   31   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   29                                                       
CONECT   46   27   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   24                                                       
CONECT   49   22   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   20                                                       
CONECT   54   19   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   16   57                                                  
CONECT   57   56    8   58                                                  
CONECT   58   57                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  130    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₃H₅₂O₁₅

Average Mass

808.8740 Da

Monoisotopic Mass

808.33062 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1OC(CCC1O)OC1CC(OC2CCC(OC3CC(OC(C)C3O)C3=CC=C4C(=O)C5=C(O)C6=CC(C)=CC(O)=C6C=C5C(=O)C4=C3O)OC2C)OC(C)C1O

InChI Identifier

InChI=1S/C43H52O15/c1-17-12-25-24(28(45)13-17)14-26-37(42(25)50)41(49)23-7-6-22(40(48)36(23)43(26)51)30-15-31(38(46)20(4)52-30)57-34-11-9-29(19(3)54-34)56-35-16-32(39(47)21(5)55-35)58-33-10-8-27(44)18(2)53-33/h6-7,12-14,18-21,27,29-35,38-39,44-48,50H,8-11,15-16H2,1-5H3

InChI Key

KQEPMSUORBBRDK-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Tetracenequinone
9,10-anthraquinone
1,4-anthraquinone
Disaccharide
Glycosyl compound
1-naphthol
O-glycosyl compound
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Oxane
Vinylogous acid
Ketone
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
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

C00050103

Chemspider ID

143605

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163726

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Antal N, Fiedler HP, Stackebrandt E, Beil W, Stroch K, Zeeck A: Retymicin, galtamycin B, saquayamycin Z and ribofuranosyllumichrome, novel secondary metabolites from Micromonospora sp. Tu 6368. I. Taxonomy, fermentation, isolation and biological activities. J Antibiot (Tokyo). 2005 Feb;58(2):95-102. doi: 10.1038/ja.2005.12. [PubMed:15835721 ]
Peng A, Qu X, Liu F, Li X, Li E, Xie W: Angucycline Glycosides from an Intertidal Sediments Strain Streptomyces sp. and Their Cytotoxic Activity against Hepatoma Carcinoma Cells. Mar Drugs. 2018 Nov 27;16(12). pii: md16120470. doi: 10.3390/md16120470. [PubMed:30486371 ]
Brana AF, Fiedler HP, Nava H, Gonzalez V, Sarmiento-Vizcaino A, Molina A, Acuna JL, Garcia LA, Blanco G: Two Streptomyces species producing antibiotic, antitumor, and anti-inflammatory compounds are widespread among intertidal macroalgae and deep-sea coral reef invertebrates from the central Cantabrian Sea. Microb Ecol. 2015 Apr;69(3):512-24. doi: 10.1007/s00248-014-0508-0. Epub 2014 Oct 16. [PubMed:25319239 ]
Erb A, Luzhetskyy A, Hardter U, Bechthold A: Cloning and sequencing of the biosynthetic gene cluster for saquayamycin Z and galtamycin B and the elucidation of the assembly of their saccharide chains. Chembiochem. 2009 May 25;10(8):1392-401. doi: 10.1002/cbic.200900054. [PubMed:19384899 ]
Stroch K, Zeeck A, Antal N, Fiedler HP: Retymicin, galtamycin B, saquayamycin Z and ribofuranosyllumichrome, novel secondary metabolites from Micromonospora sp. Tu 6368. II. Structure elucidation. J Antibiot (Tokyo). 2005 Feb;58(2):103-10. doi: 10.1038/ja.2005.13. [PubMed:15835722 ]
LOTUS database [Link]

Showing NP-Card for 1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione (NP0240475)

MOL for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

3D MOL for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

3D SDF for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

3D-SDF for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

PDB for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

3D PDB for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

SMILES for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

INCHI for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

Structure for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)

3D Structure for NP0240475 (1,6,10-trihydroxy-2-(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyltetracene-5,12-dione)