NP-MRD: Showing NP-Card for dinophysistoxin 2 (NP0189239)

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Record Information

Version

2.0

Created at

2022-09-04 05:41:27 UTC

Updated at

2022-09-04 05:41:27 UTC

NP-MRD ID

NP0189239

Secondary Accession Numbers

None

Natural Product Identification

Common Name

dinophysistoxin 2

Description

Dinophysistoxin 2, also known as DTX-2, belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. dinophysistoxin 2 is found in Dinophysis acuta and Mizuhopecten yessoensis. dinophysistoxin 2 was first documented in 2021 (PMID: 34456013). Based on a literature review a small amount of articles have been published on dinophysistoxin 2 (PMID: 35016765) (PMID: 35569274) (PMID: 35200672) (PMID: 35037095).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042207412D          

 57 63  0  0  1  0            999 V2000
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   -0.7467   -1.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  5  1  6  0  0  0
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  9  7  1  6  0  0  0
  9 10  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  1  1  0  0  0
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  9 20  1  0  0  0  0
  3 21  1  0  0  0  0
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M  END

     RDKit          3D

125131  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0189239

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@@H]1CCC[C@@]2(OCCC[C@H]2C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

> <INCHI_KEY>
BRFKTXCAUCYQBT-KIXJXINUSA-N

> <FORMULA>
C44H68O13

> <MOLECULAR_WEIGHT>
805.015

> <EXACT_MASS>
804.46599225

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
125

> <JCHEM_AVERAGE_POLARIZABILITY>
88.72358365204587

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

> <JCHEM_LOGP>
5.249096892333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.930483571716959

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.761945957371357

> <JCHEM_PKA_STRONGEST_BASIC>
-3.18588546855952

> <JCHEM_POLAR_SURFACE_AREA>
182.82999999999998

> <JCHEM_REFRACTIVITY>
210.72540000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.509  -3.737   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.588  -2.639   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.176  -1.155   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.315  -0.769   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.726   0.715   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.394  -1.868   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.885  -1.482   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.297   0.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.964  -2.581   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.552  -4.065   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.632  -5.163   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.123  -4.778   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.534  -3.294   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -7.614  -4.393   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -9.105  -4.007   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -9.516  -2.523   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.437  -1.425   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.946  -1.810   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.867  -0.712   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.455  -2.196   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.256  -0.056   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.747  -0.441   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.826   0.657   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.317   0.272   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.729  -1.212   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.917  -0.232   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.216  -1.060   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.830  -2.551   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.810  -3.739   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.271  -5.181   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.251  -6.370   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.712  -7.812   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.770  -6.115   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.309  -4.673   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.827  -4.418   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      14.367  -2.976   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.807  -5.606   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.268  -7.049   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      15.787  -6.795   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      16.767  -7.983   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      18.286  -7.728   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      19.265  -8.917   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      18.077  -9.896   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      20.453  -7.937   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      20.245 -10.105   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      21.764  -9.850   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      19.706 -11.547   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      16.228  -9.425   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.709  -9.680   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      13.729  -8.492   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      12.210  -8.746   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      12.749  -7.303   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       7.293  -2.645   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0       5.649  -2.311   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       4.158  -1.925   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       3.079  -3.024   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       3.491  -4.508   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   56                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18   20                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18                                                            
CONECT   20   13    9                                                       
CONECT   21    3   22                                                       
CONECT   22   21   23   55                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   53   54                                             
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   53                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   52                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   50   52                                             
CONECT   39   38   40                                                       
CONECT   40   39   41   48                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44   45                                             
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   42   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45                                                            
CONECT   48   40   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   38   51                                                  
CONECT   51   50                                                            
CONECT   52   38   33                                                       
CONECT   53   28   25                                                       
CONECT   54   25   55                                                       
CONECT   55   54   22   56                                                  
CONECT   56   55    2   57                                                  
CONECT   57   56                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  126    0
END

View in JSmol

Synonyms

Value	Source
(2R)-2-Hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,4a'r,5R,6's,8'r,8a's)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid	ChEBI
Dinophysistoxin-2	ChEBI
DTX 2	ChEBI
DTX-2	ChEBI
DTX2	ChEBI
(2R)-2-Hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,4a'r,5R,6's,8'r,8a's)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoate	Generator

Chemical Formula

C₄₄H₆₈O₁₃

Average Mass

805.0150 Da

Monoisotopic Mass

804.46599 Da

IUPAC Name

(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

Traditional Name

(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid

CAS Registry Number

Not Available

SMILES

C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@@H]1CCC[C@@]2(OCCC[C@H]2C)O1

InChI Identifier

InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

InChI Key

BRFKTXCAUCYQBT-KIXJXINUSA-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
Dinophysis acuta	LOTUS Database	35616633
Mizuhopecten yessoensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Ketals

Alternative Parents

Substituents

Ketal
Alpha-hydroxy acid
Hydroxy acid
Oxane
Pyran
Oxolane
Tertiary alcohol
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	5.25	ChemAxon
pKa (Strongest Acidic)	3.76	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	182.83 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	210.73 m³·mol⁻¹	ChemAxon
Polarizability	88.72 Å³	ChemAxon
Number of Rings	7	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

49073766

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

91800179

PDB ID

Not Available

ChEBI ID

145981

Good Scents ID

Not Available

References

General References

Liang Y, Li A, Chen J, Tan Z, Tong M, Liu Z, Qiu J, Yu R: Progress on the investigation and monitoring of marine phycotoxins in China. Harmful Algae. 2022 Jan;111:102152. doi: 10.1016/j.hal.2021.102152. Epub 2021 Dec 9. [PubMed:35016765 ]
Li L, Ma R, Zhao Y, Wang L, Wang S, Mao X: Development of a colorimetric aptasensor fabricated with a group-specific aptamer and AuNPs@Fe(2+) nanozyme for simultaneous detection of multiple diarrheic shellfish poisons. Talanta. 2022 Aug 15;246:123534. doi: 10.1016/j.talanta.2022.123534. Epub 2022 May 9. [PubMed:35569274 ]
Costa CQV, Afonso II, Lage S, Costa PR, Canario AVM, Da Silva JP: Quantitation Overcoming Matrix Effects of Lipophilic Toxins in Mytilus galloprovincialis by Liquid Chromatography-Full Scan High Resolution Mass Spectrometry Analysis (LC-HR-MS). Mar Drugs. 2022 Feb 15;20(2):143. doi: 10.3390/md20020143. [PubMed:35200672 ]
Liu Y, Lu Y, Jiao YH, Li DW, Li HY, Yang WD: Multi-omics analysis reveals metabolism of okadaic acid in gut lumen of rat. Arch Toxicol. 2022 Mar;96(3):831-843. doi: 10.1007/s00204-021-03219-5. Epub 2022 Jan 16. [PubMed:35037095 ]
Sechet V, Sibat M, Billien G, Carpentier L, Rovillon GA, Raimbault V, Malo F, Gaillard S, Perriere-Rumebe M, Hess P, Chomerat N: Characterization of toxin-producing strains of Dinophysis spp. (Dinophyceae) isolated from French coastal waters, with a particular focus on the D. acuminata-complex. Harmful Algae. 2021 Jul;107:101974. doi: 10.1016/j.hal.2021.101974. Epub 2021 Jan 29. [PubMed:34456013 ]
LOTUS database [Link]

Showing NP-Card for dinophysistoxin 2 (NP0189239)

MOL for NP0189239 (dinophysistoxin 2)

3D MOL for NP0189239 (dinophysistoxin 2)

3D SDF for NP0189239 (dinophysistoxin 2)

3D-SDF for NP0189239 (dinophysistoxin 2)

PDB for NP0189239 (dinophysistoxin 2)

3D PDB for NP0189239 (dinophysistoxin 2)

SMILES for NP0189239 (dinophysistoxin 2)

INCHI for NP0189239 (dinophysistoxin 2)

Structure for NP0189239 (dinophysistoxin 2)

3D Structure for NP0189239 (dinophysistoxin 2)