NP-MRD: Showing NP-Card for (2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid (NP0263228)

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Record Information

Version

2.0

Created at

2022-09-08 06:21:00 UTC

Updated at

2022-09-08 06:21:00 UTC

NP-MRD ID

NP0263228

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid

Description

Pradimicin N 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. (2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid is found in Actinomadura hibisca. Based on a literature review very few articles have been published on Pradimicin N.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082208212D          

 42 46  0  0  1  0            999 V2000
    7.8482    1.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0555    1.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648   -0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2629   -1.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2721   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0740    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6684    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    0.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832    1.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868    0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8942    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   -1.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813   -2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776   -0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5163   -1.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4745    2.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    3.3871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0782    3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089    3.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1016    3.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9034    1.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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  7 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 27 42  1  0  0  0  0
 15 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082208212D          

 42 46  0  0  1  0            999 V2000
    7.8482    1.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0555    1.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3089    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    1.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  8 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  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  4  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 27 42  1  0  0  0  0
 15 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0263228

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C3=C(OC)C4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(O)=N[C@H](C)C(O)=O)=C(C)C=C1C(O)C4O

> <INCHI_IDENTIFIER>
InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9-,22?,26?/m1/s1

> <INCHI_KEY>
GRWBRZRHHYOYGA-RJUKRNDXSA-N

> <FORMULA>
C29H25NO12

> <MOLECULAR_WEIGHT>
579.514

> <EXACT_MASS>
579.137675249

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
57.59052775073289

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-{[hydroxy({2,5,10,11,17-pentahydroxy-13,19-dimethoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,16,18,20-nonaen-6-yl})methylidene]amino}propanoic acid

> <JCHEM_LOGP>
4.157292029333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.89679840991661

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0603506415566644

> <JCHEM_PKA_STRONGEST_BASIC>
0.44216624736370114

> <JCHEM_POLAR_SURFACE_AREA>
223.64

> <JCHEM_REFRACTIVITY>
146.27600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[hydroxy({2,5,10,11,17-pentahydroxy-13,19-dimethoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,16,18,20-nonaen-6-yl})methylidene]amino}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      14.650   2.478   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      13.170   2.906   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      12.061   1.838   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.431   0.343   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.321  -0.725   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      11.691  -2.220   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       9.841  -0.298   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.471   1.197   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.581   2.265   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.992   1.624   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.622   3.119   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.882   0.556   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.403   0.984   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.033   2.478   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.293  -0.084   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.663  -1.579   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.142  -2.006   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.512  -3.501   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.992  -3.928   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.252  -0.938   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.732  -1.366   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.101  -2.861   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.553  -2.647   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.923  -4.142   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.073  -2.220   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.964  -3.288   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.704  -0.725   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.224  -0.298   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.146   1.197   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.625   1.624   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.964   2.265   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.594   3.760   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.886   4.187   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0       1.704   4.828   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       1.334   6.323   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.146   6.750   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.443   7.390   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.073   8.885   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.923   6.963   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.443   1.838   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.553   2.906   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.813   0.343   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   21                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    3                                                       
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   42                                                  
CONECT   16   15   17   23                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   12   21                                                  
CONECT   21   20    7   22                                                  
CONECT   22   21                                                            
CONECT   23   16   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   42                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   40                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   31   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   27   15                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
7-Methoxybenanomicinone	MeSH

Chemical Formula

C₂₉H₂₅NO₁₂

Average Mass

579.5140 Da

Monoisotopic Mass

579.13768 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C3=C(OC)C4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(O)=N[C@H](C)C(O)=O)=C(C)C=C1C(O)C4O

InChI Identifier

InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9-,22?,26?/m1/s1

InChI Key

GRWBRZRHHYOYGA-RJUKRNDXSA-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
Actinomadura hibisca	LOTUS Database	35616633

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
Anthracene
Phenanthrene
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
2-naphthalenecarboxamide
2-naphthalenecarboxylic acid or derivatives
Alanine or derivatives
1-naphthol
Salicylic acid or derivatives
Alpha-amino acid or derivatives
Aryl ketone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
1,2-diol
Ketone
Polyol
Carboxylic acid derivative
Carboxylic acid
Ether
Monocarboxylic acid or derivatives
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Alcohol
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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

C00017044

Chemspider ID

66252

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73575

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid (NP0263228)

MOL for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

3D MOL for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

3D SDF for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

3D-SDF for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

PDB for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

3D PDB for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

SMILES for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

INCHI for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

Structure for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)

3D Structure for NP0263228 ((2r)-2-{[hydroxy({1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl})methylidene]amino}propanoic acid)