NP-MRD: Showing NP-Card for Demethylasterriquinone B1 (NP0001625)

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Record Information

Version

2.0

Created at

2020-09-23 01:59:07 UTC

Updated at

2021-08-10 02:55:48 UTC

NP-MRD ID

NP0001625

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Demethylasterriquinone B1

Provided By

NPAtlas

Description

Demethylasterriquinone B1, also known as DMAQB-1, belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Demethylasterriquinone B1 is found in Pseudomassaria and Pseudomassaria sp.. Demethylasterriquinone B1 was first documented in 2007 (PMID: 17595071). Based on a literature review a small amount of articles have been published on Demethylasterriquinone B1 (PMID: 30574832) (PMID: 29526571) (PMID: 17240464).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242117443D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306242117443D          

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M  END
> <DATABASE_ID>
NP0001625

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(C2=C([H])N([H])C3=C(C([H])=C([H])C([H])=C23)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)C(O[H])=C(C2=C(N([H])C3=C([H])C([H])=C([H])C([H])=C23)C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3

> <INCHI_KEY>
XMGNJVXBPZAETK-UHFFFAOYSA-N

> <FORMULA>
C32H30N2O4

> <MOLECULAR_WEIGHT>
506.602

> <EXACT_MASS>
506.220557454

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
57.31247154410957

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
4.67

> <JCHEM_LOGP>
6.8547030976666665

> <ALOGPS_LOGS>
-6.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.44237281331

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.416568115217357

> <JCHEM_PKA_STRONGEST_BASIC>
-5.222789141488808

> <JCHEM_POLAR_SURFACE_AREA>
106.18

> <JCHEM_REFRACTIVITY>
153.47209999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.51e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

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 25 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 20 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 14  6  2  0
 37 15  1  0
 13  8  1  0
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 30 62  1  0
 30 63  1  0
 30 64  1  0
 31 65  1  0
 32 66  1  0
 33 67  1  0
 36 68  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0      -6.336  -2.965   0.810  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.704  -2.073   1.559  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.382  -1.474   1.116  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.507  -2.604   0.725  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.771  -0.955   2.434  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.651  -0.404   0.166  0.00  0.00           C+0
HETATM    7  N   UNK     0      -5.919  -0.055  -0.199  0.00  0.00           N+0
HETATM    8  C   UNK     0      -5.904   0.970  -1.069  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.900   1.693  -1.731  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.565   2.723  -2.585  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.248   3.082  -2.821  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.254   2.377  -2.173  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.610   1.349  -1.322  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.852   0.471  -0.537  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.413   0.501  -0.507  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.668  -0.387  -1.106  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.227  -1.468  -1.852  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.212  -0.287  -1.022  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.470  -1.189  -1.631  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.461   0.778  -0.288  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.921   0.770  -0.222  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.783   0.677  -1.324  0.00  0.00           C+0
HETATM   23  N   UNK     0       4.048   0.676  -0.924  0.00  0.00           N+0
HETATM   24  C   UNK     0       4.084   0.765   0.423  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.111   0.799   1.331  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.546   0.724   0.900  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.894  -0.682   0.574  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.423  -1.093  -0.552  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.756  -0.210  -1.674  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.702  -2.558  -0.728  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.800   0.890   2.681  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.499   0.945   3.119  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.459   0.912   2.217  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.755   0.824   0.875  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.315   1.671   0.310  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.277   2.707   1.019  0.00  0.00           O+0
HETATM   37  C   UNK     0      -1.772   1.575   0.231  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.421   2.487   0.846  0.00  0.00           O+0
HETATM   39  H   UNK     0      -5.878  -3.251  -0.126  0.00  0.00           H+0
HETATM   40  H   UNK     0      -7.265  -3.408   1.084  0.00  0.00           H+0
HETATM   41  H   UNK     0      -6.192  -1.811   2.486  0.00  0.00           H+0
HETATM   42  H   UNK     0      -3.817  -3.076  -0.257  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.444  -2.407   0.794  0.00  0.00           H+0
HETATM   44  H   UNK     0      -3.707  -3.439   1.449  0.00  0.00           H+0
HETATM   45  H   UNK     0      -2.672  -0.855   2.328  0.00  0.00           H+0
HETATM   46  H   UNK     0      -4.272  -0.026   2.750  0.00  0.00           H+0
HETATM   47  H   UNK     0      -3.947  -1.748   3.187  0.00  0.00           H+0
HETATM   48  H   UNK     0      -6.832  -0.488   0.120  0.00  0.00           H+0
HETATM   49  H   UNK     0      -7.934   1.435  -1.567  0.00  0.00           H+0
HETATM   50  H   UNK     0      -7.381   3.250  -3.072  0.00  0.00           H+0
HETATM   51  H   UNK     0      -5.010   3.895  -3.495  0.00  0.00           H+0
HETATM   52  H   UNK     0      -3.202   2.591  -2.303  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.740  -2.363  -1.744  0.00  0.00           H+0
HETATM   54  H   UNK     0       2.422   0.614  -2.363  0.00  0.00           H+0
HETATM   55  H   UNK     0       4.867   0.618  -1.554  0.00  0.00           H+0
HETATM   56  H   UNK     0       6.677   1.324  -0.019  0.00  0.00           H+0
HETATM   57  H   UNK     0       7.202   1.162   1.677  0.00  0.00           H+0
HETATM   58  H   UNK     0       6.670  -1.408   1.384  0.00  0.00           H+0
HETATM   59  H   UNK     0       8.061   0.777  -1.317  0.00  0.00           H+0
HETATM   60  H   UNK     0       8.599  -0.654  -2.282  0.00  0.00           H+0
HETATM   61  H   UNK     0       6.923  -0.142  -2.421  0.00  0.00           H+0
HETATM   62  H   UNK     0       8.556  -2.673  -1.433  0.00  0.00           H+0
HETATM   63  H   UNK     0       7.826  -3.096   0.212  0.00  0.00           H+0
HETATM   64  H   UNK     0       6.796  -2.948  -1.275  0.00  0.00           H+0
HETATM   65  H   UNK     0       5.640   0.914   3.353  0.00  0.00           H+0
HETATM   66  H   UNK     0       3.281   1.016   4.183  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.418   0.935   2.558  0.00  0.00           H+0
HETATM   68  H   UNK     0       1.000   3.297   0.588  0.00  0.00           H+0
CONECT    1    2   39   40                                                  
CONECT    2    1    3   41                                                  
CONECT    3    2    4    5    6                                             
CONECT    4    3   42   43   44                                             
CONECT    5    3   45   46   47                                             
CONECT    6    3    7   14                                                  
CONECT    7    6    8   48                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10   49                                                  
CONECT   10    9   11   50                                                  
CONECT   11   10   12   51                                                  
CONECT   12   11   13   52                                                  
CONECT   13   12   14    8                                                  
CONECT   14   13   15    6                                                  
CONECT   15   14   16   37                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   53                                                       
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   35                                                  
CONECT   21   20   22   34                                                  
CONECT   22   21   23   54                                                  
CONECT   23   22   24   55                                                  
CONECT   24   23   25   34                                                  
CONECT   25   24   26   31                                                  
CONECT   26   25   27   56   57                                             
CONECT   27   26   28   58                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   59   60   61                                             
CONECT   30   28   62   63   64                                             
CONECT   31   25   32   65                                                  
CONECT   32   31   33   66                                                  
CONECT   33   32   34   67                                                  
CONECT   34   33   21   24                                                  
CONECT   35   20   36   37                                                  
CONECT   36   35   68                                                       
CONECT   37   35   38   15                                                  
CONECT   38   37                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    2                                                            
CONECT   42    4                                                            
CONECT   43    4                                                            
CONECT   44    4                                                            
CONECT   45    5                                                            
CONECT   46    5                                                            
CONECT   47    5                                                            
CONECT   48    7                                                            
CONECT   49    9                                                            
CONECT   50   10                                                            
CONECT   51   11                                                            
CONECT   52   12                                                            
CONECT   53   17                                                            
CONECT   54   22                                                            
CONECT   55   23                                                            
CONECT   56   26                                                            
CONECT   57   26                                                            
CONECT   58   27                                                            
CONECT   59   29                                                            
CONECT   60   29                                                            
CONECT   61   29                                                            
CONECT   62   30                                                            
CONECT   63   30                                                            
CONECT   64   30                                                            
CONECT   65   31                                                            
CONECT   66   32                                                            
CONECT   67   33                                                            
CONECT   68   36                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  144    0
END

RDKit          3D

68 72  0  0  0  0  0  0  0  0999 V2000
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   -2.4134    0.5015   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  3
  3  2  1  1
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  3  6  1  0
  6  7  1  0
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  9 10  1  0
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 20 35  2  0
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 14  6  2  0
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 13  8  1  0
 34 21  1  0
 34 24  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  5 47  1  0
  7 48  1  0
  9 49  1  0
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 27 58  1  0
 29 59  1  0
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 31 65  1  0
 32 66  1  0
 33 67  1  0
 36 68  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
DMAQB-1	HMDB
Demethyl-asterriquinone b1	HMDB
Demethylasterriquinone b-1	HMDB

Chemical Formula

C₃₂H₃₀N₂O₄

Average Mass

506.6020 Da

Monoisotopic Mass

506.22056 Da

IUPAC Name

2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Traditional Name

2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

CAS Registry Number

Not Available

SMILES

[H]OC1=C(C2=C([H])N([H])C3=C(C([H])=C([H])C([H])=C23)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)C(O[H])=C(C2=C(N([H])C3=C([H])C([H])=C([H])C([H])=C23)C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=O

InChI Identifier

InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3

InChI Key

XMGNJVXBPZAETK-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, 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
Pseudomassaria	NPAtlas	10320380
Pseudomassaria sp.	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Prenylquinones

Alternative Parents

Substituents

Prenylbenzoquinone
Indole
Indole or derivatives
P-benzoquinone
Quinone
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Vinylogous acid
Ketone
Cyclic ketone
Azacycle
Enol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
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	4.67	ALOGPS
logP	6.85	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	5.42	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	106.18 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	153.47 m³·mol⁻¹	ChemAxon
Polarizability	57.31 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA000525

HMDB ID

HMDB0250991

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00027037

Chemspider ID

2281897

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3013166

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Beard RS Jr, Hoettels BA, Meegan JE, Wertz TS, Cha BJ, Yang X, Oxford JT, Wu MH, Yuan SY: AKT2 maintains brain endothelial claudin-5 expression and selective activation of IR/AKT2/FOXO1-signaling reverses barrier dysfunction. J Cereb Blood Flow Metab. 2020 Feb;40(2):374-391. doi: 10.1177/0271678X18817512. Epub 2018 Dec 21. [PubMed:30574832 ]
Deng T, Zhang Y, Wu Y, Ma P, Duan J, Qin W, Yang X, Chen M: Dibutyl phthalate exposure aggravates type 2 diabetes by disrupting the insulin-mediated PI3K/AKT signaling pathway. Toxicol Lett. 2018 Jun 15;290:1-9. doi: 10.1016/j.toxlet.2018.03.004. Epub 2018 Mar 8. [PubMed:29526571 ]
Kim H, Deng L, Xiong X, Hunter WD, Long MC, Pirrung MC: Glyceraldehyde 3-phosphate dehydrogenase is a cellular target of the insulin mimic demethylasterriquinone B1. J Med Chem. 2007 Jul 26;50(15):3423-6. doi: 10.1021/jm070437i. Epub 2007 Jun 27. [PubMed:17595071 ]
Shah DI, Singh M: Effect of demethylasterriquinone b1 in hypertension associated vascular endothelial dysfunction. Int J Cardiol. 2007 Sep 3;120(3):317-24. doi: 10.1016/j.ijcard.2006.10.006. Epub 2007 Jan 22. [PubMed:17240464 ]

Showing NP-Card for Demethylasterriquinone B1 (NP0001625)

MOL for NP0001625 (Demethylasterriquinone B1)

3D MOL for NP0001625 (Demethylasterriquinone B1)

3D SDF for NP0001625 (Demethylasterriquinone B1)

3D-SDF for NP0001625 (Demethylasterriquinone B1)

PDB for NP0001625 (Demethylasterriquinone B1)

3D PDB for NP0001625 (Demethylasterriquinone B1)

SMILES for NP0001625 (Demethylasterriquinone B1)

INCHI for NP0001625 (Demethylasterriquinone B1)

Structure for NP0001625 (Demethylasterriquinone B1)

3D Structure for NP0001625 (Demethylasterriquinone B1)