NP-MRD: Showing NP-Card for 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one (NP0235340)

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Record Information

Version

2.0

Created at

2022-09-06 17:54:40 UTC

Updated at

2022-09-06 17:54:40 UTC

NP-MRD ID

NP0235340

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one

Description

3-{[3,5-Dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062219542D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309062219542D          

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    4.8269   -2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -2.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062   -3.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -2.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339   -1.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -0.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643   -0.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3841    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942    0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    1.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062    1.3577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1265   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767   -0.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    1.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    0.2664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7172    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8776   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970   -0.9809    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  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  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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 36 44  1  0  0  0  0
 44 45  1  0  0  0  0
 33 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 30 47  1  0  0  0  0
  3 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235340

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C2C3CC4C(C=C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)OC=C4C(=O)N3CCC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H41NO15/c1-3-13-15-7-17-14-8-18(35)19(42-2)6-12(14)4-5-32(17)28(41)16(15)11-43-29(13)47-31-26(40)27(23(37)21(10-34)45-31)46-30-25(39)24(38)22(36)20(9-33)44-30/h3,6,8,11,13,15,17,20-27,29-31,33-40H,1,4-5,7,9-10H2,2H3

> <INCHI_KEY>
VDSSUYMBXUNXGS-UHFFFAOYSA-N

> <FORMULA>
C31H41NO15

> <MOLECULAR_WEIGHT>
667.661

> <EXACT_MASS>
667.247619624

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
67.78085345557216

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one

> <JCHEM_LOGP>
-2.2759561413333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.940294812137873

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.802645758729511

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835653396

> <JCHEM_POLAR_SURFACE_AREA>
237.52999999999997

> <JCHEM_REFRACTIVITY>
156.74429999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3H-2-oxa-12-azatetraphen-13-one

> <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      10.522  -4.741   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.010  -4.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.506  -2.995   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.994  -2.704   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.986  -3.868   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.473  -3.577   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.465  -4.741   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.953  -4.450   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.945  -5.614   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.567  -5.323   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.449  -2.995   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.063  -2.704   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.457  -1.831   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.953  -0.376   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.441  -0.085   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.567  -1.249   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.080  -0.958   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.088  -2.122   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.600  -1.831   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.584   0.497   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.096   0.788   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.576   1.661   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.080   3.117   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.063   1.370   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.945   2.534   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.969  -2.122   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.978  -0.958   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       6.490  -1.249   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.498  -0.085   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.010  -0.376   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.018   0.788   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.514   2.243   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0      11.531   0.497   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      12.539   1.661   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.051   1.370   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      14.555  -0.085   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.067  -0.376   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.571  -1.831   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      18.084  -2.122   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      19.092  -0.958   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.563  -2.995   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      16.067  -4.450   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      14.051  -2.704   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.547  -1.249   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.035  -0.958   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      11.027  -2.122   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       9.514  -1.831   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   47                                                  
CONECT    4    3    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   15   25                                                  
CONECT   25   24                                                            
CONECT   26   13    6   27                                                  
CONECT   27   26                                                            
CONECT   28    4   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   47                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   45                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   44                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   36   45                                                  
CONECT   45   44   33   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46   30    3                                                  
MASTER        0    0    0    0    0    0    0    0   47    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₁NO₁₅

Average Mass

667.6610 Da

Monoisotopic Mass

667.24762 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C2C3CC4C(C=C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)OC=C4C(=O)N3CCC2=C1

InChI Identifier

InChI=1S/C31H41NO15/c1-3-13-15-7-17-14-8-18(35)19(42-2)6-12(14)4-5-32(17)28(41)16(15)11-43-29(13)47-31-26(40)27(23(37)21(10-34)45-31)46-30-25(39)24(38)22(36)20(9-33)44-30/h3,6,8,11,13,15,17,20-27,29-31,33-40H,1,4-5,7,9-10H2,2H3

InChI Key

VDSSUYMBXUNXGS-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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Disaccharide
O-glycosyl compound
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
Delta-lactam
1-hydroxy-2-unsubstituted benzenoid
Piperidinone
Benzenoid
Piperidine
Oxane
Vinylogous ester
Tertiary carboxylic acid amide
Secondary alcohol
Carboxamide group
Lactam
Oxacycle
Azacycle
Polyol
Organoheterocyclic compound
Carboxylic acid derivative
Ether
Acetal
Hydrocarbon derivative
Alcohol
Organopnictogen compound
Organonitrogen compound
Carbonyl group
Organic nitrogen compound
Primary alcohol
Organic oxide
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

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

163033736

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one (NP0235340)

MOL for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

3D MOL for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

3D SDF for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

3D-SDF for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

PDB for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

3D PDB for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

SMILES for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

INCHI for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

Structure for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)

3D Structure for NP0235340 (3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3h-2-oxa-12-azatetraphen-13-one)