NP-MRD: Showing NP-Card for n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid (NP0321767)

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Record Information

Version

2.0

Created at

2022-09-12 00:09:00 UTC

Updated at

2022-09-12 00:09:00 UTC

NP-MRD ID

NP0321767

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid

Description

N-(6,8-dihydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]Octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid is found in Salinispora arenicola. Based on a literature review very few articles have been published on N-(6,8-dihydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]Octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122202092D          

 43 46  0  0  0  0            999 V2000
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309122202092D          

 43 46  0  0  0  0            999 V2000
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    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2265   -5.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312   -5.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881   -6.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6470   -5.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0595   -5.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7581   -4.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954   -5.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698   -4.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468   -3.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  4  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0321767

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C=CC=C(C)C(O)=NC1=CC(=O)C2=CC(O)=C(C)C(O)=C2C1=O)C(O)C(C)C(O)C(C)C1OC2(C)CCC(O2)C1C

> <INCHI_IDENTIFIER>
InChI=1S/C33H43NO9/c1-15(27(37)19(5)28(38)20(6)31-18(4)25-11-12-33(7,42-25)43-31)9-8-10-16(2)32(41)34-22-14-24(36)21-13-23(35)17(3)29(39)26(21)30(22)40/h8-10,13-15,18-20,25,27-28,31,35,37-39H,11-12H2,1-7H3,(H,34,41)

> <INCHI_KEY>
RRHNEUNNHGSOGZ-UHFFFAOYSA-N

> <FORMULA>
C33H43NO9

> <MOLECULAR_WEIGHT>
597.705

> <EXACT_MASS>
597.293781969

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
64.56346173779204

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(6,8-dihydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid

> <JCHEM_LOGP>
4.624154873000002

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.933367049224265

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.4090337832452695

> <JCHEM_PKA_STRONGEST_BASIC>
0.8310134253130758

> <JCHEM_POLAR_SURFACE_AREA>
166.10999999999999

> <JCHEM_REFRACTIVITY>
165.12210000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335  -6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  -8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003  -8.470   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.670  -8.470   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.004  -6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.338  -8.470   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      17.223 -10.006   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      18.352 -11.053   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.898 -12.525   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.874 -10.824   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.644  -9.490   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      20.082  -8.056   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      19.591  -9.771   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      18.610  -7.602   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      18.381  -6.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0       4.001 -10.010   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.334 -13.090   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.334 -13.090   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -4.001 -13.090   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  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.334  -8.470   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000 -10.780   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       1.334  -8.470   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   26                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20   23                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22   18                                                       
CONECT   24   22   16   25                                                  
CONECT   25   24                                                            
CONECT   26    2   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   42                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   41                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   33   42                                                  
CONECT   42   41   29   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Value	Source
N-(6,8-Dihydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidate	Generator

Chemical Formula

C₃₃H₄₃NO₉

Average Mass

597.7050 Da

Monoisotopic Mass

597.29378 Da

IUPAC Name

N-(6,8-dihydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid

Traditional Name

N-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid

CAS Registry Number

Not Available

SMILES

CC(C=CC=C(C)C(O)=NC1=CC(=O)C2=CC(O)=C(C)C(O)=C2C1=O)C(O)C(C)C(O)C(C)C1OC2(C)CCC(O2)C1C

InChI Identifier

InChI=1S/C33H43NO9/c1-15(27(37)19(5)28(38)20(6)31-18(4)25-11-12-33(7,42-25)43-31)9-8-10-16(2)32(41)34-22-14-24(36)21-13-23(35)17(3)29(39)26(21)30(22)40/h8-10,13-15,18-20,25,27-28,31,35,37-39H,11-12H2,1-7H3,(H,34,41)

InChI Key

RRHNEUNNHGSOGZ-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
Salinispora arenicola	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Naphthoquinone
Naphthalene
Quinone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Oxepane
Meta-dioxane
N-acyl-amine
Benzenoid
Vinylogous amide
Vinylogous acid
Tetrahydrofuran
Carboxamide group
Ketone
Secondary alcohol
Secondary carboxylic acid amide
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
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
logP	4.62	ChemAxon
pKa (Strongest Acidic)	5.41	ChemAxon
pKa (Strongest Basic)	0.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	166.11 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	165.12 m³·mol⁻¹	ChemAxon
Polarizability	64.56 Å³	ChemAxon
Number of Rings	4	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

162877378

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid (NP0321767)

MOL for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

3D MOL for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

3D SDF for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

3D-SDF for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

PDB for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

3D PDB for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

SMILES for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

INCHI for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

Structure for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)

3D Structure for NP0321767 (n-(6,8-dihydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-10-{1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl}-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienimidic acid)