NP-MRD: Showing NP-Card for 45-Hydroxyhomoyessotoxin (NP0335166)

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Record Information

Version

2.0

Created at

2024-09-11 00:15:23 UTC

Updated at

2024-09-11 00:15:23 UTC

NP-MRD ID

NP0335166

Secondary Accession Numbers

None

Natural Product Identification

Common Name

45-Hydroxyhomoyessotoxin

Description

45-Hydroxyhomoyessotoxin belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure. 45-Hydroxyhomoyessotoxin was first documented in 1997 (PMID: 9285914). Based on a literature review a small amount of articles have been published on 45-Hydroxyhomoyessotoxin (PMID: 15377159) (PMID: 10367395).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262302472D          

 80 90  0  0  0  0            999 V2000
   -3.0409   10.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868   10.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6402    6.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    8.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0367    7.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0135    1.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2628    1.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9454    4.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229   10.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6901    8.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    8.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv2104 05262302472D          

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   -0.5868   10.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8914    9.6461    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0078    5.8142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 28  2  2  0  0  0  0
 28 12  1  0  0  0  0
 29  3  1  0  0  0  0
 29 13  1  0  0  0  0
 30  4  2  0  0  0  0
 30 20  1  0  0  0  0
 31 10  1  0  0  0  0
 31 28  1  0  0  0  0
 32 14  1  0  0  0  0
 33 21  1  0  0  0  0
 33 32  1  0  0  0  0
 34 22  1  0  0  0  0
 35 21  1  0  0  0  0
 35 34  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 37 36  1  0  0  0  0
 38 25  1  0  0  0  0
 39 26  1  0  0  0  0
 40 20  1  0  0  0  0
 40 39  1  0  0  0  0
 41 23  1  0  0  0  0
 41 38  1  0  0  0  0
 42 24  1  0  0  0  0
 43 24  1  0  0  0  0
 44 27  1  0  0  0  0
 45 27  1  0  0  0  0
 46 25  1  0  0  0  0
 47 26  1  0  0  0  0
 48 29  1  0  0  0  0
 48 42  1  0  0  0  0
 49 43  1  0  0  0  0
 50 49  1  0  0  0  0
 51 30  1  0  0  0  0
 52  5  1  0  0  0  0
 52 16  1  0  0  0  0
 52 51  1  0  0  0  0
 53  6  1  0  0  0  0
 53 15  1  0  0  0  0
 53 46  1  0  0  0  0
 54  7  1  0  0  0  0
 54 17  1  0  0  0  0
 54 45  1  0  0  0  0
 55  8  1  0  0  0  0
 55 18  1  0  0  0  0
 55 44  1  0  0  0  0
 56  9  1  0  0  0  0
 56 47  1  0  0  0  0
 56 50  1  0  0  0  0
 57 31  1  0  0  0  0
 58 50  1  0  0  0  0
 59 52  1  0  0  0  0
 66 19  1  0  0  0  0
 67 32  1  0  0  0  0
 67 34  1  0  0  0  0
 68 35  1  0  0  0  0
 68 37  1  0  0  0  0
 69 36  1  0  0  0  0
 69 38  1  0  0  0  0
 70 33  1  0  0  0  0
 70 44  1  0  0  0  0
 71 42  1  0  0  0  0
 71 45  1  0  0  0  0
 72 43  1  0  0  0  0
 72 47  1  0  0  0  0
 73 39  1  0  0  0  0
 73 51  1  0  0  0  0
 74 48  1  0  0  0  0
 74 49  1  0  0  0  0
 75 41  1  0  0  0  0
 75 53  1  0  0  0  0
 76 40  1  0  0  0  0
 76 56  1  0  0  0  0
 77 46  1  0  0  0  0
 78 54  1  0  0  0  0
 78 55  1  0  0  0  0
 79 60  1  0  0  0  0
 79 61  2  0  0  0  0
 79 62  2  0  0  0  0
 79 66  1  0  0  0  0
 80 63  1  0  0  0  0
 80 64  2  0  0  0  0
 80 65  2  0  0  0  0
 80 77  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335166

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C

> <INCHI_IDENTIFIER>
InChI=1/C56H84O22S2/c1-10-31(57)28(2)12-16-52(5,59)51-30(4)20-40-39(73-51)26-47-56(9,76-40)50(58)49-43(72-47)24-42-48(74-49)29(3)13-17-54(7)45(71-42)27-44-55(8,78-54)18-14-32-33(70-44)21-35-34(67-32)22-36-37(68-35)23-41-38(69-36)25-46(77-80(63,64)65)53(6,75-41)15-11-19-66-79(60,61)62/h10,12,16,29,31-51,57-59H,1-2,4,11,13-15,17-27H2,3,5-9H3,(H,60,61,62)(H,63,64,65)/b16-12+

> <INCHI_KEY>
SAFIBVMKGBEOPD-FOWTUZBSNA-N

> <FORMULA>
C56H84O22S2

> <MOLECULAR_WEIGHT>
1173.39

> <EXACT_MASS>
1172.489566693

> <JCHEM_ACCEPTOR_COUNT>
20

> <JCHEM_ATOM_COUNT>
164

> <JCHEM_AVERAGE_POLARIZABILITY>
123.90323296252936

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{40-[(3E)-2,6-dihydroxy-5-methylideneocta-3,7-dien-2-yl]-34-hydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0^{3,25}.0^{5,22}.0^{7,20}.0^{9,18}.0^{11,16}.0^{31,48}.0^{33,46}.0^{35,44}.0^{37,42}]nonatetracontan-14-yl}oxidanesulfonic acid

> <JCHEM_LOGP>
-0.9339343650730754

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
-1.8859408940637246

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.3862987713461288

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3891790702190263

> <JCHEM_POLAR_SURFACE_AREA>
289.41999999999996

> <JCHEM_REFRACTIVITY>
281.6006999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
{40-[(3E)-2,6-dihydroxy-5-methylideneocta-3,7-dien-2-yl]-34-hydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0^{3,25}.0^{5,22}.0^{7,20}.0^{9,18}.0^{11,16}.0^{31,48}.0^{33,46}.0^{35,44}.0^{37,42}]nonatetracontan-14-yl}oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -5.676  19.674   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.095  19.075   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.673   3.380   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.195  12.363   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.099  15.400   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      28.069  13.949   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.092   3.154   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.424   3.454   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.631   7.698   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.149  19.474   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      27.422  15.895   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.441  16.431   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.229   3.215   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.099   4.735   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.300  14.839   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.086  16.231   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.756   3.418   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.656   4.198   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      27.068  17.394   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.923  10.742   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.426   8.862   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.346   7.750   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.886  11.789   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.149   8.323   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.806  10.677   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.913  11.566   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.710   7.106   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.031  17.853   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.006   4.151   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.332  12.164   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.559  18.052   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.579   6.199   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.734   7.486   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.809   7.662   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      19.964   8.950   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      23.039   9.126   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      22.194  10.413   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.269  10.589   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.386  11.765   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.450  10.543   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      24.424  11.877   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.740   6.901   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.622   8.522   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      15.133   6.518   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.489   6.167   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      27.499  12.053   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       5.504  10.144   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       8.803   5.678   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       6.686   7.299   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       5.159   7.499   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       1.268  13.387   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       0.677  14.809   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      26.654  13.340   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      12.692   4.641   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      15.336   4.991   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       4.568   8.921   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -4.495  16.829   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0       4.222   6.276   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      -0.745  14.218   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      31.139  17.563   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      29.221  16.531   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      30.107  19.481   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      28.594  10.008   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      31.169  11.698   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      30.726   9.566   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      28.189  18.449   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      20.116   6.287   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0      20.656  10.325   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0      24.576   9.214   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      16.200   7.628   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      11.266   7.103   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0       7.031   9.944   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0       2.795  13.187   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0       7.276   5.877   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      25.116  13.252   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0       3.041   9.120   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      29.036  12.141   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      14.115   4.053   0.000  0.00  0.00           O+0
HETATM   79  S   UNK     0      29.664  18.006   0.000  0.00  0.00           S+0
HETATM   80  S   UNK     0      29.881  10.853   0.000  0.00  0.00           S+0
CONECT    1   10                                                            
CONECT    2   28                                                            
CONECT    3   29                                                            
CONECT    4   30                                                            
CONECT    5   52                                                            
CONECT    6   53                                                            
CONECT    7   54                                                            
CONECT    8   55                                                            
CONECT    9   56                                                            
CONECT   10    1   31                                                       
CONECT   11   15   19                                                       
CONECT   12   16   28                                                       
CONECT   13   17   29                                                       
CONECT   14   18   32                                                       
CONECT   15   11   53                                                       
CONECT   16   12   52                                                       
CONECT   17   13   54                                                       
CONECT   18   14   55                                                       
CONECT   19   11   66                                                       
CONECT   20   30   40                                                       
CONECT   21   33   35                                                       
CONECT   22   34   36                                                       
CONECT   23   37   41                                                       
CONECT   24   42   43                                                       
CONECT   25   38   46                                                       
CONECT   26   39   47                                                       
CONECT   27   44   45                                                       
CONECT   28    2   12   31                                                  
CONECT   29    3   13   48                                                  
CONECT   30    4   20   51                                                  
CONECT   31   10   28   57                                                  
CONECT   32   14   33   67                                                  
CONECT   33   21   32   70                                                  
CONECT   34   22   35   67                                                  
CONECT   35   21   34   68                                                  
CONECT   36   22   37   69                                                  
CONECT   37   23   36   68                                                  
CONECT   38   25   41   69                                                  
CONECT   39   26   40   73                                                  
CONECT   40   20   39   76                                                  
CONECT   41   23   38   75                                                  
CONECT   42   24   48   71                                                  
CONECT   43   24   49   72                                                  
CONECT   44   27   55   70                                                  
CONECT   45   27   54   71                                                  
CONECT   46   25   53   77                                                  
CONECT   47   26   56   72                                                  
CONECT   48   29   42   74                                                  
CONECT   49   43   50   74                                                  
CONECT   50   49   56   58                                                  
CONECT   51   30   52   73                                                  
CONECT   52    5   16   51   59                                             
CONECT   53    6   15   46   75                                             
CONECT   54    7   17   45   78                                             
CONECT   55    8   18   44   78                                             
CONECT   56    9   47   50   76                                             
CONECT   57   31                                                            
CONECT   58   50                                                            
CONECT   59   52                                                            
CONECT   60   79                                                            
CONECT   61   79                                                            
CONECT   62   79                                                            
CONECT   63   80                                                            
CONECT   64   80                                                            
CONECT   65   80                                                            
CONECT   66   19   79                                                       
CONECT   67   32   34                                                       
CONECT   68   35   37                                                       
CONECT   69   36   38                                                       
CONECT   70   33   44                                                       
CONECT   71   42   45                                                       
CONECT   72   43   47                                                       
CONECT   73   39   51                                                       
CONECT   74   48   49                                                       
CONECT   75   41   53                                                       
CONECT   76   40   56                                                       
CONECT   77   46   80                                                       
CONECT   78   54   55                                                       
CONECT   79   60   61   62   66                                             
CONECT   80   63   64   65   77                                             
MASTER        0    0    0    0    0    0    0    0   80    0  180    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₆H₈₄O₂₂S₂

Average Mass

1173.3900 Da

Monoisotopic Mass

1172.48957 Da

IUPAC Name

{40-[(3E)-2,6-dihydroxy-5-methylideneocta-3,7-dien-2-yl]-34-hydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0^{3,25}.0^{5,22}.0^{7,20}.0^{9,18}.0^{11,16}.0^{31,48}.0^{33,46}.0^{35,44}.0^{37,42}]nonatetracontan-14-yl}oxidanesulfonic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1CCC2(C)OC3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)C(C)(CCCOS(O)(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5OC4(C)C(O)C3OC12)C(C)(O)\C=C\C(=C)C(O)C=C

InChI Identifier

InChI=1/C56H84O22S2/c1-10-31(57)28(2)12-16-52(5,59)51-30(4)20-40-39(73-51)26-47-56(9,76-40)50(58)49-43(72-47)24-42-48(74-49)29(3)13-17-54(7)45(71-42)27-44-55(8,78-54)18-14-32-33(70-44)21-35-34(67-32)22-36-37(68-35)23-41-38(69-36)25-46(77-80(63,64)65)53(6,75-41)15-11-19-66-79(60,61)62/h10,12,16,29,31-51,57-59H,1-2,4,11,13-15,17-27H2,3,5-9H3,(H,60,61,62)(H,63,64,65)/b16-12+

InChI Key

SAFIBVMKGBEOPD-FOWTUZBSNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Ciguatera toxins

Sub Class

Not Available

Direct Parent

Ciguatera toxins

Alternative Parents

Substituents

Ciguatera toxin fragment
Oxepane
Monosaccharide
Oxane
Sulfuric acid monoester
Sulfate-ester
Alkyl sulfate
Sulfuric acid ester
Organic sulfuric acid or derivatives
Tertiary alcohol
Secondary alcohol
Dialkyl ether
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organic oxide
Organooxygen compound
Alcohol
Hydrocarbon derivative
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	-0.93	ChemAxon
pKa (Strongest Acidic)	-2.4	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	20	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	289.42 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	281.6 m³·mol⁻¹	ChemAxon
Polarizability	123.9 Å³	ChemAxon
Number of Rings	11	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ferrari S, Ciminiello P, Dell'Aversano C, Forino M, Malaguti C, Tubaro A, Poletti R, Yasumoto T, Fattorusso E, Rossini GP: Structure-activity relationships of yessotoxins in cultured cells. Chem Res Toxicol. 2004 Sep;17(9):1251-7. doi: 10.1021/tx030054x. [PubMed:15377159 ]
Quilliam MA: Phycotoxins. J AOAC Int. 1999 May-Jun;82(3):773-81. [PubMed:10367395 ]
Satake M, Tubaro A, Lee JS, Yasumoto T: Two new analogs of yessotoxin, homoyessotoxin and 45-hydroxyhomoyessotoxin, isolated from mussels of the Adriatic Sea. Nat Toxins. 1997;5(3):107-10. doi: 10.1002/1522-7189(1997)5:3<107::AID-NT4>3.0.CO;2-6. [PubMed:9285914 ]

Showing NP-Card for 45-Hydroxyhomoyessotoxin (NP0335166)

MOL for NP0335166 (45-Hydroxyhomoyessotoxin)

3D MOL for NP0335166 (45-Hydroxyhomoyessotoxin)

3D SDF for NP0335166 (45-Hydroxyhomoyessotoxin)

3D-SDF for NP0335166 (45-Hydroxyhomoyessotoxin)

PDB for NP0335166 (45-Hydroxyhomoyessotoxin)

3D PDB for NP0335166 (45-Hydroxyhomoyessotoxin)

SMILES for NP0335166 (45-Hydroxyhomoyessotoxin)

INCHI for NP0335166 (45-Hydroxyhomoyessotoxin)

Structure for NP0335166 (45-Hydroxyhomoyessotoxin)

3D Structure for NP0335166 (45-Hydroxyhomoyessotoxin)