NP-MRD: Showing NP-Card for Chaetoglobosin T (NP0005551)

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Record Information

Version

2.0

Created at

2020-12-09 02:46:14 UTC

Updated at

2024-09-12 19:59:41 UTC

NP-MRD ID

NP0005551

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Chaetoglobosin T

Provided By

NPAtlas

Description

Chaetoglobosin T belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. Chaetoglobosin T is found in Chaetomium globosum and Chaetomium globosum CANUN60. Chaetoglobosin T was first documented in 2018 (PMID: 30400338). Based on a literature review very few articles have been published on Chaetoglobosin T (PMID: 30343206).

Structure

MOL SDF PDB SMILES InChI

NP0005551
  Mrv2104 05272322313D          

 75 79  0  0  0  0            999 V2000
   -0.9972   -4.7040   -1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027   -3.3306   -0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -3.0967   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -1.6783    0.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2589   -1.5803    0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -1.1825    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171   -0.9955    0.6824 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3944    0.2839    0.1424 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8935    0.2506    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989    1.5502    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104    2.5151    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    3.7183    1.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    2.6285   -1.1911 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7877    1.5955   -2.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    2.7212   -1.2140 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0908    1.5194   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0995   -1.7340    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0935   -0.1490   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6262    2.4120   -2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0696    4.3405   -2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
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M  END

NP0005551
  Mrv2104 05272322313D          

 75 79  0  0  0  0            999 V2000
   -0.9972   -4.7040   -1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027   -3.3306   -0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -3.0967   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -1.6783    0.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2589   -1.5803    0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -1.1825    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171   -0.9955    0.6824 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3944    0.2839    0.1424 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8935    0.2506    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989    1.5502    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104    2.5151    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    3.7183    1.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    2.6285   -1.1911 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7877    1.5955   -2.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    2.7212   -1.2140 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.6271    1.4618    0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406    0.4167    1.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    0.8381    2.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 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  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
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36  2  1  0  0  0  0
 20  4  1  0  0  0  0
 34 26  1  0  0  0  0
 35 20  1  0  0  0  0
 34 29  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4 42  1  6  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 47  1  6  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 51  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 55  1  6  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  6  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 35 71  1  6  0  0  0
 36 72  1  6  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0005551

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])\C(=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])\C([H])=C([H])\[C@@]2([H])C([H])=C(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@@]([H])(N([H])C(=O)[C@@]23C(=O)\C([H])=C([H])\C1([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1/C32H38N2O3/c1-19-9-7-10-24-16-20(2)22(4)30-27(17-23-18-33-26-12-6-5-11-25(23)26)34-31(37)32(24,30)29(36)14-8-13-28(35)21(3)15-19/h5-8,10-12,14-16,18-19,22,24,27-28,30,33,35H,9,13,17H2,1-4H3,(H,34,37)/b10-7+,14-8+,21-15-/t19-,22+,24-,27-,28-,30-,32+/s2

> <INCHI_KEY>
KJNZESBAHPOZTI-CDZOWXLCNA-N

> <FORMULA>
C32H38N2O3

> <MOLECULAR_WEIGHT>
498.667

> <EXACT_MASS>
498.288243092

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.434904970425784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,3aR,4S,6aS,10S,13S,17aS)-13-hydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-1H,2H,3H,3aH,4H,6aH,9H,10H,13H,14H,17H-cyclotrideca[d]isoindole-1,17-dione

> <JCHEM_LOGP>
5.380574927000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.154013646970892

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.437733142124955

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3537587783917235

> <JCHEM_POLAR_SURFACE_AREA>
82.19

> <JCHEM_REFRACTIVITY>
151.7975

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
chaetoglobosin T

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NP0005551                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0      -0.997  -4.704  -1.370  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.603  -3.331  -0.919  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.566  -3.097  -0.290  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.903  -1.678   0.124  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.259  -1.580   0.782  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.347  -1.183   0.101  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.717  -0.996   0.682  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.394   0.284   0.142  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.894   0.251   0.475  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.799   1.550   0.726  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.010   2.515   0.198  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.711   3.718   1.076  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.384   2.628  -1.191  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.788   1.595  -2.079  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.836   2.721  -1.214  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.091   1.519  -0.677  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.627   1.462   0.579  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.141   0.417   1.314  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.726   0.838   2.322  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.298  -1.048   0.875  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.576  -1.893   2.125  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.210  -2.181   3.015  0.00  0.00           O+0
HETATM   23  N   UNK     0      -1.886  -2.301   2.135  0.00  0.00           N+0
HETATM   24  C   UNK     0      -2.683  -1.729   1.088  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.637  -0.653   1.641  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.578  -0.111   0.609  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.682  -0.757   0.084  0.00  0.00           C+0
HETATM   28  N   UNK     0      -6.266   0.069  -0.838  0.00  0.00           N+0
HETATM   29  C   UNK     0      -5.569   1.250  -0.929  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.797   2.373  -1.734  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.918   3.452  -1.605  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.857   3.410  -0.704  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.644   2.280   0.093  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.512   1.174  -0.021  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.647  -1.209   0.060  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.498  -2.131  -1.199  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.834  -2.443  -1.886  0.00  0.00           C+0
HETATM   38  H   UNK     0      -0.238  -5.451  -1.113  0.00  0.00           H+0
HETATM   39  H   UNK     0      -1.932  -5.011  -0.891  0.00  0.00           H+0
HETATM   40  H   UNK     0      -1.128  -4.731  -2.456  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.271  -3.896  -0.078  0.00  0.00           H+0
HETATM   42  H   UNK     0       1.008  -1.161  -0.834  0.00  0.00           H+0
HETATM   43  H   UNK     0       2.344  -1.831   1.837  0.00  0.00           H+0
HETATM   44  H   UNK     0       3.255  -0.960  -0.962  0.00  0.00           H+0
HETATM   45  H   UNK     0       5.317  -1.868   0.394  0.00  0.00           H+0
HETATM   46  H   UNK     0       4.681  -0.979   1.779  0.00  0.00           H+0
HETATM   47  H   UNK     0       5.333   0.277  -0.947  0.00  0.00           H+0
HETATM   48  H   UNK     0       7.372  -0.621   0.015  0.00  0.00           H+0
HETATM   49  H   UNK     0       7.067   0.196   1.556  0.00  0.00           H+0
HETATM   50  H   UNK     0       7.400   1.145   0.095  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.094   1.683   1.771  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.978   4.643   0.553  0.00  0.00           H+0
HETATM   53  H   UNK     0       2.652   3.762   1.341  0.00  0.00           H+0
HETATM   54  H   UNK     0       4.278   3.708   2.014  0.00  0.00           H+0
HETATM   55  H   UNK     0       3.758   3.560  -1.637  0.00  0.00           H+0
HETATM   56  H   UNK     0       4.738   1.732  -2.228  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.510   3.627  -0.688  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.511   2.852  -2.255  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.932   0.729  -1.398  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.795   2.324   1.223  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.245  -2.810   2.933  0.00  0.00           H+0
HETATM   62  H   UNK     0      -3.286  -2.552   0.695  0.00  0.00           H+0
HETATM   63  H   UNK     0      -4.235  -1.092   2.452  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.080   0.164   2.108  0.00  0.00           H+0
HETATM   65  H   UNK     0      -6.099  -1.734   0.288  0.00  0.00           H+0
HETATM   66  H   UNK     0      -7.093  -0.149  -1.375  0.00  0.00           H+0
HETATM   67  H   UNK     0      -6.626   2.412  -2.432  0.00  0.00           H+0
HETATM   68  H   UNK     0      -5.070   4.340  -2.214  0.00  0.00           H+0
HETATM   69  H   UNK     0      -3.189   4.263  -0.613  0.00  0.00           H+0
HETATM   70  H   UNK     0      -2.818   2.263   0.799  0.00  0.00           H+0
HETATM   71  H   UNK     0      -1.959  -0.232  -0.326  0.00  0.00           H+0
HETATM   72  H   UNK     0      -0.955  -1.532  -1.948  0.00  0.00           H+0
HETATM   73  H   UNK     0      -3.417  -1.527  -2.030  0.00  0.00           H+0
HETATM   74  H   UNK     0      -2.664  -2.873  -2.879  0.00  0.00           H+0
HETATM   75  H   UNK     0      -3.446  -3.155  -1.325  0.00  0.00           H+0
CONECT    1    2   38   39   40                                             
CONECT    2    1    3   36                                                  
CONECT    3    2    4   41                                                  
CONECT    4    3    5   20   42                                             
CONECT    5    4    6   43                                                  
CONECT    6    5    7   44                                                  
CONECT    7    6    8   45   46                                             
CONECT    8    7    9   10   47                                             
CONECT    9    8   48   49   50                                             
CONECT   10    8   11   51                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11   52   53   54                                             
CONECT   13   11   14   15   55                                             
CONECT   14   13   56                                                       
CONECT   15   13   16   57   58                                             
CONECT   16   15   17   59                                                  
CONECT   17   16   18   60                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21    4   35                                             
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   61                                                  
CONECT   24   23   25   35   62                                             
CONECT   25   24   26   63   64                                             
CONECT   26   25   27   34                                                  
CONECT   27   26   28   65                                                  
CONECT   28   27   29   66                                                  
CONECT   29   28   30   34                                                  
CONECT   30   29   31   67                                                  
CONECT   31   30   32   68                                                  
CONECT   32   31   33   69                                                  
CONECT   33   32   34   70                                                  
CONECT   34   33   26   29                                                  
CONECT   35   24   36   20   71                                             
CONECT   36   35   37    2   72                                             
CONECT   37   36   73   74   75                                             
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    3                                                            
CONECT   42    4                                                            
CONECT   43    5                                                            
CONECT   44    6                                                            
CONECT   45    7                                                            
CONECT   46    7                                                            
CONECT   47    8                                                            
CONECT   48    9                                                            
CONECT   49    9                                                            
CONECT   50    9                                                            
CONECT   51   10                                                            
CONECT   52   12                                                            
CONECT   53   12                                                            
CONECT   54   12                                                            
CONECT   55   13                                                            
CONECT   56   14                                                            
CONECT   57   15                                                            
CONECT   58   15                                                            
CONECT   59   16                                                            
CONECT   60   17                                                            
CONECT   61   23                                                            
CONECT   62   24                                                            
CONECT   63   25                                                            
CONECT   64   25                                                            
CONECT   65   27                                                            
CONECT   66   28                                                            
CONECT   67   30                                                            
CONECT   68   31                                                            
CONECT   69   32                                                            
CONECT   70   33                                                            
CONECT   71   35                                                            
CONECT   72   36                                                            
CONECT   73   37                                                            
CONECT   74   37                                                            
CONECT   75   37                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  158    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₈N₂O₃

Average Mass

498.6670 Da

Monoisotopic Mass

498.28824 Da

IUPAC Name

(3S,3aR,4S,6aS,10S,13S,17aS)-13-hydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-1H,2H,3H,3aH,4H,6aH,9H,10H,13H,14H,17H-cyclotrideca[d]isoindole-1,17-dione

Traditional Name

chaetoglobosin T

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])\C(=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])\C([H])=C([H])\[C@@]2([H])C([H])=C(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@@]([H])(N([H])C(=O)[C@@]23C(=O)\C([H])=C([H])\C1([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]

InChI Identifier

InChI=1/C32H38N2O3/c1-19-9-7-10-24-16-20(2)22(4)30-27(17-23-18-33-26-12-6-5-11-25(23)26)34-31(37)32(24,30)29(36)14-8-13-28(35)21(3)15-19/h5-8,10-12,14-16,18-19,22,24,27-28,30,33,35H,9,13,17H2,1-4H3,(H,34,37)/b10-7+,14-8+,21-15-/t19-,22+,24-,27-,28-,30-,32+/s2

InChI Key

KJNZESBAHPOZTI-CDZOWXLCNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Chaetomium globosum	NPAtlas	15497948
Chaetomium globosum CANUN60	Fungi	KNApSAcK

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Sub Class

Isoindolines

Direct Parent

Isoindolones

Alternative Parents

Substituents

Isoindolone
3-alkylindole
Indole
Indole or derivatives
Isoindole
Pyrrolidone
2-pyrrolidone
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrolidine
Pyrrole
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Ketone
Lactam
Azacycle
Carboxylic acid derivative
Carbonyl group
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
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	5.38	ChemAxon
pKa (Strongest Acidic)	14.44	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	82.19 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	151.8 m³·mol⁻¹	ChemAxon
Polarizability	56.43 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA000765

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00043382

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

Gao W, He Y, Li F, Chai C, Zhang J, Guo J, Chen C, Wang J, Zhu H, Hu Z, Zhang Y: Antibacterial activity against drug-resistant microbial pathogens of cytochalasan alkaloids from the arthropod-associated fungus Chaetomium globosum TW1-1. Bioorg Chem. 2019 Mar;83:98-104. doi: 10.1016/j.bioorg.2018.10.020. Epub 2018 Oct 10. [PubMed:30343206 ]
Yan W, Cao LL, Zhang YY, Zhao R, Zhao SS, Khan B, Ye YH: New Metabolites from Endophytic Fungus Chaetomium globosum CDW7. Molecules. 2018 Nov 4;23(11). pii: molecules23112873. doi: 10.3390/molecules23112873. [PubMed:30400338 ]

Showing NP-Card for Chaetoglobosin T (NP0005551)

MOL for NP0005551 (Chaetoglobosin T)

3D MOL for NP0005551 (Chaetoglobosin T)

3D SDF for NP0005551 (Chaetoglobosin T)

3D-SDF for NP0005551 (Chaetoglobosin T)

PDB for NP0005551 (Chaetoglobosin T)

3D PDB for NP0005551 (Chaetoglobosin T)

SMILES for NP0005551 (Chaetoglobosin T)

INCHI for NP0005551 (Chaetoglobosin T)

Structure for NP0005551 (Chaetoglobosin T)

3D Structure for NP0005551 (Chaetoglobosin T)