NP-MRD: Showing NP-Card for 7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0241192)

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Record Information

Version

2.0

Created at

2022-09-07 01:12:39 UTC

Updated at

2022-09-07 01:12:39 UTC

NP-MRD ID

NP0241192

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Description

7,9-Dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-triene-3-carboxamide belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. 7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide is found in Aplysina caissara. 7,9-Dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-triene-3-carboxamide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201504182D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004201504182D          

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    1.6975   -7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -8.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264   -7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409   -8.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5554   -7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5554   -6.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2699   -8.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9843   -7.6156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6988   -8.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6988   -8.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4133   -7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4995   -6.7952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3065   -6.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7190   -7.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1669   -7.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039   -6.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0244   -6.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5093   -6.0895    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.3599   -7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   -8.9317    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.0545   -8.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5696   -8.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804   -7.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6653   -6.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8741   -6.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -5.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0301   -5.6975    0.0000 Br  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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  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
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
  8 42  1  0  0  0  0
 42 43  2  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241192

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCCCCC(O)CNC(=O)C2=NOC3(C2)C=C(Br)C(OC)=C(Br)C3O)C=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C27H32Br4N4O9/c1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)

> <INCHI_KEY>
FQVRCGJJPSNVLI-UHFFFAOYSA-N

> <FORMULA>
C27H32Br4N4O9

> <MOLECULAR_WEIGHT>
876.188

> <EXACT_MASS>
871.890281

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
72.15221932246662

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,9-dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
1.243438863333333

> <ALOGPS_LOGS>
-4.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.577510353652709

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.038747513188277

> <JCHEM_PKA_STRONGEST_BASIC>
0.25567842737446245

> <JCHEM_POLAR_SURFACE_AREA>
180.53

> <JCHEM_REFRACTIVITY>
176.81609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,9-dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -7.244  -7.983   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.712  -8.144   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.086  -9.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.555  -9.711   0.000  0.00  0.00           C+0
HETATM    5 Br   UNK     0      -2.649  -8.465   0.000  0.00  0.00          Br+0
HETATM    6  C   UNK     0      -2.928 -11.118   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.397 -11.279   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.833 -12.364   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.327 -12.684   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.166 -14.216   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -3.573 -14.842   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0      -4.603 -13.698   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.832 -14.986   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.832 -16.526   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       0.501 -14.216   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.835 -14.986   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.169 -14.216   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.502 -14.986   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.836 -14.216   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.170 -14.986   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.503 -14.216   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.503 -12.676   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.837 -14.986   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      11.171 -14.216   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      12.504 -14.986   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      12.504 -16.526   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      13.838 -14.216   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      13.999 -12.684   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0      15.505 -12.364   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      16.275 -13.698   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.245 -14.842   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      17.181 -12.452   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.712 -12.613   0.000  0.00  0.00           C+0
HETATM   34 Br   UNK     0      19.617 -11.367   0.000  0.00  0.00          Br+0
HETATM   35  C   UNK     0      19.339 -14.020   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      18.433 -15.266   0.000  0.00  0.00           C+0
HETATM   37 Br   UNK     0      19.060 -16.672   0.000  0.00  0.00          Br+0
HETATM   38  C   UNK     0      16.902 -15.105   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      15.997 -16.351   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      20.870 -14.181   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      21.775 -12.935   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.365 -12.203   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -5.991 -10.796   0.000  0.00  0.00           C+0
HETATM   44 Br   UNK     0      -7.523 -10.635   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12   42                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11    8                                                       
CONECT   13   10   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   31                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32   38                                             
CONECT   31   30   27                                                       
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   40                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   30   39                                                  
CONECT   39   38                                                            
CONECT   40   35   41                                                       
CONECT   41   40                                                            
CONECT   42    8   43                                                       
CONECT   43   42    3   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂Br₄N₄O₉

Average Mass

876.1880 Da

Monoisotopic Mass

871.89028 Da

IUPAC Name

7,9-dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Traditional Name

7,9-dibromo-N-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

CAS Registry Number

Not Available

SMILES

COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCCCCC(O)CNC(=O)C2=NOC3(C2)C=C(Br)C(OC)=C(Br)C3O)C=C1Br

InChI Identifier

InChI=1S/C27H32Br4N4O9/c1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)

InChI Key

FQVRCGJJPSNVLI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aplysina caissara	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azolines

Sub Class

Isoxazolines

Direct Parent

Isoxazolines

Alternative Parents

Substituents

Isoxazoline
Bromohydrin
Carboxamide group
Halohydrin
Oxime ether
Secondary alcohol
Secondary carboxylic acid amide
Haloalkene
Vinyl halide
Vinyl bromide
Carboxylic acid derivative
Oxacycle
Azacycle
Bromoalkene
Organic oxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic nitrogen compound
Alcohol
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	3.54	ALOGPS
logP	1.24	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	12.04	ChemAxon
pKa (Strongest Basic)	0.26	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180.53 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	176.82 m³·mol⁻¹	ChemAxon
Polarizability	72.15 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

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

85320429

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0241192)

MOL for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D MOL for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D SDF for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D-SDF for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

PDB for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D PDB for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

SMILES for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

INCHI for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

Structure for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D Structure for NP0241192 (7,9-dibromo-n-[7-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-hydroxyheptyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)