NP-MRD: Showing NP-Card for 4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate (NP0211532)

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Record Information

Version

2.0

Created at

2022-09-05 09:51:09 UTC

Updated at

2022-09-05 09:51:09 UTC

NP-MRD ID

NP0211532

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate

Description

Saptomycin D belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. 4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate was first documented in 1993 (PMID: 8244880). Based on a literature review very few articles have been published on Saptomycin D.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052211512D          

 45 50  0  0  0  0            999 V2000
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    3.4168    3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052211512D          

 45 50  0  0  0  0            999 V2000
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    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    2.5288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496    3.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    3.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    4.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    4.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    4.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657    3.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246   -1.6143    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
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  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
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 29 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  2  0  0  0  0
 34 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 27 41  1  0  0  0  0
 26 42  2  0  0  0  0
 22 42  1  0  0  0  0
 42 43  1  0  0  0  0
 23 44  1  0  0  0  0
 16 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0211532

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C1OC1(C)C1=CC(=O)C2=C(C)C=C3C(=O)C4=C(C(O)=C(C=C4)C4CC(C)(C(OC(C)=O)C(C)O4)N(C)C)C(=O)C3=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C35H37NO9/c1-9-10-24-35(6,45-24)25-14-22(38)26-16(2)13-21-28(32(26)44-25)31(41)27-20(29(21)39)12-11-19(30(27)40)23-15-34(5,36(7)8)33(17(3)42-23)43-18(4)37/h9-14,17,23-24,33,40H,15H2,1-8H3/b10-9+

> <INCHI_KEY>
SEVRUPDCFLLSBX-MDZDMXLPSA-N

> <FORMULA>
C35H37NO9

> <MOLECULAR_WEIGHT>
615.679

> <EXACT_MASS>
615.246831775

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
65.89832059910344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate

> <JCHEM_LOGP>
4.32230095964788

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.909876849855188

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.0380223736390635

> <JCHEM_PKA_STRONGEST_BASIC>
7.749495745898756

> <JCHEM_POLAR_SURFACE_AREA>
131.97

> <JCHEM_REFRACTIVITY>
168.35699999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       4.884   6.984   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.378   6.609   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.800   5.127   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.293   4.752   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.774   5.174   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.399   3.680   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.594   2.709   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.895   2.225   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.903   1.061   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.399  -0.394   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.407  -1.558   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.887  -0.685   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.383  -2.140   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.391  -3.304   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.870  -2.431   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.366   0.188   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.879   0.479   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.383   1.934   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.358   1.352   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.862   2.807   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.846   1.061   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.342  -0.394   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.830  -0.685   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.179   0.479   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.326   1.934   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.683   3.098   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.195   2.807   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.203   3.971   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.174   2.776   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      -4.549   4.720   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      -4.573   6.260   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.870   3.930   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.699   5.427   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -3.707   6.591   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -3.203   8.046   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.211   9.210   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.691   8.337   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -1.187   5.718   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.683   7.173   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -0.179   4.553   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       1.838   2.225   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.342   3.680   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.350  -1.558   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       2.846  -3.013   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4    6                                                       
CONECT    6    5    4    7    8                                             
CONECT    7    6                                                            
CONECT    8    6    9   19                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   18                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   44                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   12   19                                                  
CONECT   19   18    8                                                       
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   42                                                  
CONECT   23   22   24   44                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   42                                                  
CONECT   27   26   28   41                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31   34                                             
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   34   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   27                                                       
CONECT   42   26   22   43                                                  
CONECT   43   42                                                            
CONECT   44   23   16   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₇NO₉

Average Mass

615.6790 Da

Monoisotopic Mass

615.24683 Da

IUPAC Name

4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate

Traditional Name

4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

C\C=C\C1OC1(C)C1=CC(=O)C2=C(C)C=C3C(=O)C4=C(C(O)=C(C=C4)C4CC(C)(C(OC(C)=O)C(C)O4)N(C)C)C(=O)C3=C2O1

InChI Identifier

InChI=1S/C35H37NO9/c1-9-10-24-35(6,45-24)25-14-22(38)26-16(2)13-21-28(32(26)44-25)31(41)27-20(29(21)39)12-11-19(30(27)40)23-15-34(5,36(7)8)33(17(3)42-23)43-18(4)37/h9-14,17,23-24,33,40H,15H2,1-8H3/b10-9+

InChI Key

SEVRUPDCFLLSBX-MDZDMXLPSA-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 anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

9,10-anthraquinone
Anthraquinone
Naphthopyranone
Naphthopyran
Chromone
Benzopyran
1-benzopyran
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Aralkylamine
Pyranone
Oxane
Pyran
Heteroaromatic compound
Vinylogous acid
Tertiary amine
Tertiary aliphatic amine
Ketone
Carboxylic acid ester
Amino acid or derivatives
Carboxylic acid derivative
Oxacycle
Dialkyl ether
Oxirane
Ether
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organic oxygen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Organooxygen compound
Organonitrogen 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	4.32	ChemAxon
pKa (Strongest Acidic)	7.04	ChemAxon
pKa (Strongest Basic)	7.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	131.97 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	168.36 m³·mol⁻¹	ChemAxon
Polarizability	65.9 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

C00017132

Chemspider ID

4943158

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6438697

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Abe N, Nakakita Y, Nakamura T, Enoki N, Uchida H, Munekata M: Novel antitumor antibiotics, saptomycins. I. Taxonomy of the producing organism, fermentation, HPLC analysis and biological activities. J Antibiot (Tokyo). 1993 Oct;46(10):1530-5. doi: 10.7164/antibiotics.46.1530. [PubMed:8244880 ]
LOTUS database [Link]

Showing NP-Card for 4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate (NP0211532)

MOL for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

3D MOL for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

3D SDF for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

3D-SDF for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

PDB for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

3D PDB for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

SMILES for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

INCHI for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

Structure for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)

3D Structure for NP0211532 (4-(dimethylamino)-6-(11-hydroxy-5-methyl-2-{2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}-4,7,12-trioxo-1-oxatetraphen-10-yl)-2,4-dimethyloxan-3-yl acetate)