NP-MRD: Showing NP-Card for 11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione (NP0289643)

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Record Information

Version

2.0

Created at

2022-09-09 19:55:56 UTC

Updated at

2022-09-09 19:55:57 UTC

NP-MRD ID

NP0289643

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione

Description

11-Hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)-1H-imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]Hexadeca-3,5,7,10-tetraene-12,15-dione belongs to the class of organic compounds known as pyridoindolones. These are pyridoindoles with a structure that contains an indole moiety bearing a ketone. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Based on a literature review very few articles have been published on 11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)-1H-imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]Hexadeca-3,5,7,10-tetraene-12,15-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092221552D          

 43 47  0  0  0  0            999 V2000
    4.4262   -2.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309092221552D          

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    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    2.0202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    2.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527    3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238    1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419    2.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0231    1.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631    2.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5305    2.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1979    1.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0154    2.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0456    1.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2201    2.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930    1.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    1.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    2.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7205    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1182    0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -0.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8920   -0.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  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  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  4  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
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 17 29  1  0  0  0  0
 29 30  2  0  0  0  0
 15 30  1  0  0  0  0
 13 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 12 34  1  0  0  0  0
  6 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
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 38 43  1  0  0  0  0
  6 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0289643

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CON1C2=CC=CC=C2C2(C=C(O)C(=O)N3C(=CC4=CN(C=N4)C(C)(C)CC(=O)CC(C)(C)O)C(=O)NC123)C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C32H39N5O6/c1-9-28(2,3)31-17-25(39)27(41)36-24(26(40)34-32(31,36)37(43-8)23-13-11-10-12-22(23)31)14-20-18-35(19-33-20)29(4,5)15-21(38)16-30(6,7)42/h9-14,17-19,39,42H,1,15-16H2,2-8H3,(H,34,40)

> <INCHI_KEY>
QDJVQRTZVLGFMT-UHFFFAOYSA-N

> <FORMULA>
C32H39N5O6

> <MOLECULAR_WEIGHT>
589.693

> <EXACT_MASS>
589.290033996

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
63.63273566772348

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)-1H-imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione

> <JCHEM_LOGP>
3.1009760192232783

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.300281105088123

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.551262093809662

> <JCHEM_PKA_STRONGEST_BASIC>
5.7949205894907765

> <JCHEM_POLAR_SURFACE_AREA>
137.23

> <JCHEM_REFRACTIVITY>
173.92269999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       8.262  -4.372   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.423  -2.841   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.177  -1.936   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.642  -1.460   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.272  -3.182   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.931  -1.030   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.611  -2.537   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.147  -3.013   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.826  -4.519   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.002  -1.982   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.538  -2.458   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       3.322  -0.476   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.877   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.107   2.104   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.424   2.265   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -1.745   3.771   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -3.151   4.397   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.525   5.804   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.778   2.991   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.558   5.024   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.804   4.119   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.643   2.587   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -7.211   4.745   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.457   3.840   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -9.703   2.935   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -9.362   5.086   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -7.552   2.594   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.411   4.541   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       0.734   3.511   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       3.322   2.016   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.846   3.481   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0       4.787   1.540   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       5.413   1.407   0.000  0.00  0.00           N+0
HETATM   36  O   UNK     0       4.643   2.741   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.413   4.074   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.945   1.246   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.089   2.276   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.554   1.800   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.874   0.294   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.730  -0.736   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.265  -0.260   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7   34   43                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   34                                                  
CONECT   13   12   14   31                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   30                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   17   30                                                       
CONECT   30   29   15                                                       
CONECT   31   13   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   12    6   35                                             
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   39   43                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   38    6                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₉N₅O₆

Average Mass

589.6930 Da

Monoisotopic Mass

589.29003 Da

IUPAC Name

11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)-1H-imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione

Traditional Name

11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10-tetraene-12,15-dione

CAS Registry Number

Not Available

SMILES

CON1C2=CC=CC=C2C2(C=C(O)C(=O)N3C(=CC4=CN(C=N4)C(C)(C)CC(=O)CC(C)(C)O)C(=O)NC123)C(C)(C)C=C

InChI Identifier

InChI=1S/C32H39N5O6/c1-9-28(2,3)31-17-25(39)27(41)36-24(26(40)34-32(31,36)37(43-8)23-13-11-10-12-22(23)31)14-20-18-35(19-33-20)29(4,5)15-21(38)16-30(6,7)42/h9-14,17-19,39,42H,1,15-16H2,2-8H3,(H,34,40)

InChI Key

QDJVQRTZVLGFMT-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridoindolones. These are pyridoindoles with a structure that contains an indole moiety bearing a ketone. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Pyridoindolones

Alternative Parents

Substituents

Pyridoindolone
Alpha-carboline
Alpha-amino acid or derivatives
Indole
Imidazopyridine
1-hydroxylamino, 4-unsubstituted benzenoid
1-hydroxylamino, 2-unsubstituted benzenoid
Beta-hydroxy ketone
N-substituted imidazole
Imidazolidinone
Pyridine
Benzenoid
Azole
Heteroaromatic compound
Imidazole
Imidazolidine
Tertiary carboxylic acid amide
Tertiary alcohol
Ortho amide
Orthocarboxylic acid derivative
Carboxamide group
Ketone
Secondary carboxylic acid amide
Lactam
Carboxylic acid derivative
Enol
Azacycle
N-organohydroxylamine
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organic oxygen compound
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	3.1	ChemAxon
pKa (Strongest Acidic)	7.55	ChemAxon
pKa (Strongest Basic)	5.79	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	137.23 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	173.92 m³·mol⁻¹	ChemAxon
Polarizability	63.63 Å³	ChemAxon
Number of Rings	5	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

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

75149473

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione (NP0289643)

MOL for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

3D MOL for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

3D SDF for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

3D-SDF for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

PDB for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

3D PDB for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

SMILES for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

INCHI for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

Structure for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)

3D Structure for NP0289643 (11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione)