NP-MRD: Showing NP-Card for Insularine 2beta-N-oxide (NP0068047)

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Record Information

Version

2.0

Created at

2022-04-28 12:56:14 UTC

Updated at

2022-04-28 12:56:15 UTC

NP-MRD ID

NP0068047

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Insularine 2beta-N-oxide

Description

152579-37-8 Belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. Insularine 2beta-N-oxide is found in Cyclea sutchuenensis Gagnep. Based on a literature review very few articles have been published on 152579-37-8.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282214562D          

 47 54  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  CHG  2  45   1  47  -1
M  END


  Mrv1652304282214562D          

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    9.2607    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    2.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0609    3.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4818    2.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2427    2.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5005   -2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5882   -1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0360   -2.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4017   -3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5955   -2.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817   -2.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0372   -1.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7991   -1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2251   -0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6881   -0.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448   -0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5229   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3442    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -1.1289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -1.1922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9252   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4232    0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2189    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1085    0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923    1.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1596    1.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6809    1.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   -1.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734    0.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6059    0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8618    1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1237    2.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6085   -1.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  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
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  6  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
  1 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 35 41  1  0  0  0  0
 32 42  1  0  0  0  0
 29 43  1  0  0  0  0
 43 44  2  0  0  0  0
 26 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 27 47  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0068047

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3[C@@H](CC4=CC=C(OC5=C6[C@@H](CC7=CC=C8OC3=C1OCC8=C7)N(C)(=O)CCC6=CC(OC)=C5OC)C=C4)N(C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C38H40N2O7/c1-39-14-12-24-19-32(43-4)36-37-33(24)28(39)17-22-6-9-27(10-7-22)46-38-34-25(20-31(42-3)35(38)44-5)13-15-40(2,41)29(34)18-23-8-11-30(47-37)26(16-23)21-45-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-,40?/m1/s1

> <INCHI_KEY>
DAFGPYIDXUGEMR-IMVCMCQESA-N

> <FORMULA>
C38H40N2O7

> <MOLECULAR_WEIGHT>
636.745

> <EXACT_MASS>
636.283551636

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
69.08020569790646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,16R)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15lambda5,31-diazaoctacyclo[19.10.3.2^{3,6}.1^{8,12}.1^{18,22}.0^{25,33}.0^{28,32}.0^{16,36}]octatriaconta-3,5,8(36),9,11,18,20,22(35),25(33),26,28(32),37-dodecaen-15-one

> <ALOGPS_LOGP>
4.12

> <JCHEM_LOGP>
5.105114752666666

> <ALOGPS_LOGS>
-6.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.746613784177217

> <JCHEM_PKA_STRONGEST_BASIC>
6.660827994941883

> <JCHEM_POLAR_SURFACE_AREA>
85.50000000000001

> <JCHEM_REFRACTIVITY>
180.7140999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.07e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,16R)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15lambda5,31-diazaoctacyclo[19.10.3.2^{3,6}.1^{8,12}.1^{18,22}.0^{25,33}.0^{28,32}.0^{16,36}]octatriaconta-3,5,8(36),9,11,18,20,22(35),25(33),26,28(32),37-dodecaen-15-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      16.841   1.217   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.141   0.030   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.231  -1.677   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      19.584  -2.454   0.000  0.00  0.00           N+0
HETATM    5  O   UNK     0      20.939  -3.445   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      20.921  -1.724   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      20.947  -0.179   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.598   0.633   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.902   2.154   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.752   3.180   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.287   2.704   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      16.891   4.331   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      16.914   5.938   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      19.566   4.622   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      20.986   5.358   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.601  -4.118   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.898  -3.345   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.867  -4.648   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      15.683  -5.729   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.178  -5.286   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.779  -3.756   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.003  -2.820   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.425  -3.204   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.354  -1.354   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      14.351  -0.289   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.816  -0.373   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.844  -1.608   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.309  -1.229   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.768   0.296   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.109   0.551   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.100  -0.655   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       7.624  -2.107   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       9.157  -2.225   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.194  -0.520   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.123   1.203   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.609   0.406   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.269   1.053   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.799   2.906   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      15.231   1.994   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      12.134   3.424   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.604   2.843   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.751  -3.459   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.964   1.533   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.331   1.204   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      12.809   2.759   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      13.298   4.422   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      12.336  -3.123   0.000  0.00  0.00           O+0
CONECT    1    2   11   39                                                  
CONECT    2    1    3    8                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5    6   16                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    2    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10    1   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15   14                                                            
CONECT   16    4                                                            
CONECT   17    3   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   47                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   18                                                       
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   44                                                  
CONECT   27   26   28   47                                                  
CONECT   28   27   29   33                                                  
CONECT   29   28   30   43                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   42                                                  
CONECT   33   32   28   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   41                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38    1                                                       
CONECT   40   38   41                                                       
CONECT   41   40   35                                                       
CONECT   42   32                                                            
CONECT   43   29   44                                                       
CONECT   44   43   26   45                                                  
CONECT   45   44   46                                                       
CONECT   46   45                                                            
CONECT   47   27   21                                                       
MASTER        0    0    0    0    0    0    0    0   47    0  108    0
END

View in JSmol

Synonyms

Value	Source
Insularine-2-N-oxide	MeSH

Chemical Formula

C₃₈H₄₀N₂O₇

Average Mass

636.7450 Da

Monoisotopic Mass

636.28355 Da

IUPAC Name

(1R,16R)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15lambda5,31-diazaoctacyclo[19.10.3.2^{3,6}.1^{8,12}.1^{18,22}.0^{25,33}.0^{28,32}.0^{16,36}]octatriaconta-3,5,8(36),9,11,18,20,22(35),25(33),26,28(32),37-dodecaen-15-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3[C@@H](CC4=CC=C(OC5=C6[C@@H](CC7=CC=C8OC3=C1OCC8=C7)N(C)(=O)CCC6=CC(OC)=C5OC)C=C4)N(C)CC2

InChI Identifier

InChI=1S/C38H40N2O7/c1-39-14-12-24-19-32(43-4)36-37-33(24)28(39)17-22-6-9-27(10-7-22)46-38-34-25(20-31(42-3)35(38)44-5)13-15-40(2,41)29(34)18-23-8-11-30(47-37)26(16-23)21-45-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-,40?/m1/s1

InChI Key

DAFGPYIDXUGEMR-IMVCMCQESA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Cyclea sutchuenensis Gagnep.	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Diarylethers

Alternative Parents

Substituents

Diaryl ether
Tetrahydroisoquinoline
Anisole
Aralkylamine
Dioxepine
Alkyl aryl ether
1,4-dioxepine
Benzenoid
Trialkyl amine oxide
Tertiary aliphatic amine
Tertiary amine
Oxacycle
Azacycle
Organoheterocyclic compound
Trisubstituted n-oxide
N-oxide
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic zwitterion
Organonitrogen compound
Amine
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	4.12	ALOGPS
logP	5.11	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	12.75	ChemAxon
pKa (Strongest Basic)	6.66	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	85.5 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	180.71 m³·mol⁻¹	ChemAxon
Polarizability	69.08 Å³	ChemAxon
Number of Rings	8	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

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

15765882

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Insularine 2beta-N-oxide (NP0068047)

MOL for NP0068047 (Insularine 2beta-N-oxide)

3D MOL for NP0068047 (Insularine 2beta-N-oxide)

3D SDF for NP0068047 (Insularine 2beta-N-oxide)

3D-SDF for NP0068047 (Insularine 2beta-N-oxide)

PDB for NP0068047 (Insularine 2beta-N-oxide)

3D PDB for NP0068047 (Insularine 2beta-N-oxide)

SMILES for NP0068047 (Insularine 2beta-N-oxide)

INCHI for NP0068047 (Insularine 2beta-N-oxide)

Structure for NP0068047 (Insularine 2beta-N-oxide)

3D Structure for NP0068047 (Insularine 2beta-N-oxide)