NP-MRD: Showing NP-Card for (1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione (NP0236584)

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Record Information

Version

2.0

Created at

2022-09-06 19:31:01 UTC

Updated at

2022-09-06 19:31:02 UTC

NP-MRD ID

NP0236584

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione

Description

(1S,4aR,12aS)-3-acetyl-4a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-1,2,4a,5,12,12a-hexahydrotetracene-2,5-dione belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. (1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione is found in Streptomyces nogalater. Based on a literature review very few articles have been published on (1S,4aR,12aS)-3-acetyl-4a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-1,2,4a,5,12,12a-hexahydrotetracene-2,5-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062221312D          

 57 63  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  6 10  2  0  0  0  0
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 22 21  1  1  0  0  0
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 24 26  1  6  0  0  0
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 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 22 31  1  0  0  0  0
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 32 33  1  1  0  0  0
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 34 35  1  1  0  0  0
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 18 36  1  0  0  0  0
 16 37  1  0  0  0  0
 37 38  1  6  0  0  0
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  3 57  1  0  0  0  0
 12 57  1  0  0  0  0
M  END

     RDKit          3D

107113  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309062221312D          

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M  END
> <DATABASE_ID>
NP0236584

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1[C@@H]2CC3=C(C(O)=C4C(O)=CC=CC4=C3)C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(O)=C(C(C)=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C40H50O17/c1-15(41)28-34(46)35(51-6)21-11-20-10-19-8-7-9-22(42)29(19)33(45)30(20)38(49)40(21,37(28)48)57-26-13-24(32(44)17(3)53-26)55-25-12-23(31(43)16(2)52-25)56-27-14-39(5,50)36(47)18(4)54-27/h7-10,16-18,21,23-27,31-32,35-36,42-45,47-48,50H,11-14H2,1-6H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,31+,32-,35+,36-,39+,40-/m1/s1

> <INCHI_KEY>
JHYLILVBNSGWRF-OTMGUYQRSA-N

> <FORMULA>
C40H50O17

> <MOLECULAR_WEIGHT>
802.823

> <EXACT_MASS>
802.30480015

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
79.35489518446822

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4aR,12aS)-3-acetyl-4a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-1,2,4a,5,12,12a-hexahydrotetracene-2,5-dione

> <JCHEM_LOGP>
2.5883747973333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.738853607240377

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9085356705263217

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3152372689692253

> <JCHEM_POLAR_SURFACE_AREA>
257.42999999999995

> <JCHEM_REFRACTIVITY>
194.69650000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4aR,12aS)-3-acetyl-4a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1H-tetracene-2,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.498  -8.609   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.430  -8.946   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668  -8.470   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001 -13.090   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668 -13.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.336 -13.090   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.003 -13.090   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.864 -12.413   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      14.853 -14.127   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      13.337 -15.400   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.670 -16.170   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003 -17.710   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.669 -15.400   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.002 -15.400   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.668 -17.710   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.335 -15.400   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334  -8.470   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.001  -8.470   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   57                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   42   57                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   41                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   37                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   36                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   32                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   22                                                       
CONECT   32   20   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   18                                                       
CONECT   37   16   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   14                                                       
CONECT   42   12   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   54                                                  
CONECT   45   44   46   56                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   53                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   47   54                                                  
CONECT   54   53   44   55                                                  
CONECT   55   54                                                            
CONECT   56   45   57                                                       
CONECT   57   56    3   12                                                  
MASTER        0    0    0    0    0    0    0    0   57    0  126    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₀O₁₇

Average Mass

802.8230 Da

Monoisotopic Mass

802.30480 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CO[C@H]1[C@@H]2CC3=C(C(O)=C4C(O)=CC=CC4=C3)C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(O)=C(C(C)=O)C1=O

InChI Identifier

InChI=1S/C40H50O17/c1-15(41)28-34(46)35(51-6)21-11-20-10-19-8-7-9-22(42)29(19)33(45)30(20)38(49)40(21,37(28)48)57-26-13-24(32(44)17(3)53-26)55-25-12-23(31(43)16(2)52-25)56-27-14-39(5,50)36(47)18(4)54-27/h7-10,16-18,21,23-27,31-32,35-36,42-45,47-48,50H,11-14H2,1-6H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,31+,32-,35+,36-,39+,40-/m1/s1

InChI Key

JHYLILVBNSGWRF-OTMGUYQRSA-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
Streptomyces nogalater	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Glycosyl compound
1-naphthol
O-glycosyl compound
Naphthalene
Tetralin
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclohexenone
Benzenoid
Oxane
Vinylogous acid
Tertiary alcohol
Cyclic ketone
Ketone
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Enol
Dialkyl ether
Hydrocarbon derivative
Organic oxide
Carbonyl group
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

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

163190433

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione (NP0236584)

MOL for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

3D MOL for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

3D SDF for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

3D-SDF for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

PDB for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

3D PDB for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

SMILES for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

INCHI for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

Structure for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)

3D Structure for NP0236584 ((1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione)