NP-MRD: Showing NP-Card for {[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid (NP0307185)

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Record Information

Version

2.0

Created at

2022-09-11 00:08:31 UTC

Updated at

2022-09-11 00:08:31 UTC

NP-MRD ID

NP0307185

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

Description

SCHEMBL13225934 belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. Based on a literature review very few articles have been published on SCHEMBL13225934.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112202082D          

 38 39  0  0  0  0            999 V2000
    9.5863   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4826    0.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7220    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0151   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8432   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226   -0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8796    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016   -0.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    0.9781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9514    0.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333    1.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    2.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010    2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    2.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    3.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    3.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971    4.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5364    3.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183    4.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7859    5.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576    3.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253    4.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    2.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7969    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2150    1.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6362    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3039    1.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0574    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    0.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7251    1.9086    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 19  1  0  0  0  0
 18 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  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  3 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END


  Mrv1652309112202082D          

 38 39  0  0  0  0            999 V2000
    9.5863   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4826    0.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7220    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0151   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8432   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226   -0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8796    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016   -0.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    0.9781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9514    0.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333    1.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    2.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010    2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    2.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    3.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    3.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971    4.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5364    3.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183    4.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7859    5.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576    3.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253    4.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    2.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7969    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8827    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2150    1.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6362    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3039    1.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0574    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    0.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7251    1.9086    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 19  1  0  0  0  0
 18 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  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  3 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0307185

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC\C=C(C)\C(O)=NC2=CC(O)=C(O)C(CC(C)CC(OC)C(O)C(C)\C=C(C)\C1OC(O)=N)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C28H42N2O8/c1-15-10-19-13-20(14-21(31)25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h8,12-15,17,22-24,26,31-33H,7,9-11H2,1-6H3,(H2,29,35)(H,30,34)/b16-8+,18-12+

> <INCHI_KEY>
LQCLDVBADKXMJS-HKMJPRJJSA-N

> <FORMULA>
C28H42N2O8

> <MOLECULAR_WEIGHT>
534.65

> <EXACT_MASS>
534.29411632

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
56.84073468286133

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(4E,10E)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

> <JCHEM_LOGP>
1.554186512632919

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.5396589916122556

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.926248874559195

> <JCHEM_PKA_STRONGEST_BASIC>
15.043745269985338

> <JCHEM_POLAR_SURFACE_AREA>
165.04999999999998

> <JCHEM_REFRACTIVITY>
158.42810000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
{[(4E,10E)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      17.894  -1.275   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      17.701   0.253   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      16.281   0.849   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.961  -0.199   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.641  -1.705   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.109  -1.865   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.483  -0.458   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.596   0.606   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.975   0.294   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.710  -0.583   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      10.815   1.826   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       9.409   2.453   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.162   1.548   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.756   2.175   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.509   1.271   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.596   3.707   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.189   4.334   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.842   4.612   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.248   3.985   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.682   6.143   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.928   7.048   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.768   8.579   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.335   6.421   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.581   7.325   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.421   8.857   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.667   9.761   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.987   6.698   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.234   7.603   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      13.148   5.167   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.901   4.262   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.554   4.539   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.714   3.008   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.468   2.103   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.121   2.381   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.367   3.285   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      18.774   2.658   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      18.934   1.127   0.000  0.00  0.00           N+0
HETATM   38  O   UNK     0      20.020   3.563   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18   12                                                       
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    3   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₂N₂O₈

Average Mass

534.6500 Da

Monoisotopic Mass

534.29412 Da

IUPAC Name

{[(4E,10E)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

Traditional Name

{[(4E,10E)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

CAS Registry Number

Not Available

SMILES

COC1CC\C=C(C)\C(O)=NC2=CC(O)=C(O)C(CC(C)CC(OC)C(O)C(C)\C=C(C)\C1OC(O)=N)=C2

InChI Identifier

InChI=1S/C28H42N2O8/c1-15-10-19-13-20(14-21(31)25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h8,12-15,17,22-24,26,31-33H,7,9-11H2,1-6H3,(H2,29,35)(H,30,34)/b16-8+,18-12+

InChI Key

LQCLDVBADKXMJS-HKMJPRJJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Carbamic acid ester
Carboxamide group
Lactam
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid derivative
Dialkyl ether
Ether
Polyol
Azacycle
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic nitrogen 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
logP	1.55	ChemAxon
pKa (Strongest Acidic)	-2.9	ChemAxon
pKa (Strongest Basic)	15.04	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.05 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	158.43 m³·mol⁻¹	ChemAxon
Polarizability	56.84 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

8967722

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10792411

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid (NP0307185)

MOL for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

3D MOL for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

3D SDF for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

3D-SDF for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

PDB for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

3D PDB for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

SMILES for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

INCHI for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

Structure for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)

3D Structure for NP0307185 ({[(4e,10e)-3,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid)