NP-MRD: Showing NP-Card for Cephalostatin 15 (NP0069688)

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Record Information

Version

1.0

Created at

2022-04-28 15:03:14 UTC

Updated at

2022-04-28 15:03:14 UTC

NP-MRD ID

NP0069688

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cephalostatin 15

Description

(2R,3S,3''S,4''S,5R,5'R,6'S,8'R,9'R,10'R,11'S,14'R,17'R,20'S,26'R,30'S,33'S,34'R,35'R,37'S,39'R,40'S,43'S)-3,3'',8',10',40'-pentahydroxy-5-(hydroxymethyl)-4'',5,5',5'',5'',9',11',26',34'-nonamethyldispiro[oxolane-2,12'-[13,32,38]trioxa-[2,23]diazadodecacyclo[22.20.0.0³,²².0⁵,²⁰.0⁶,¹⁷.0⁹,¹⁶.0¹⁰,¹⁴.0²⁶,⁴³.0²⁷,⁴⁰.0³⁰,³⁵.0³⁰,³⁹.0³⁷,³⁹]Tetratetracontane-33',2''-oxolane]-1',3'(22'),15',23',27'-pentaen-29'-one belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton. Cephalostatin 15 is found in Cephalodiscus gilchristi. It was first documented in 2022 (PMID: 35487686). Based on a literature review a significant number of articles have been published on (2R,3S,3''S,4''S,5R,5'R,6'S,8'R,9'R,10'R,11'S,14'R,17'R,20'S,26'R,30'S,33'S,34'R,35'R,37'S,39'R,40'S,43'S)-3,3'',8',10',40'-pentahydroxy-5-(hydroxymethyl)-4'',5,5',5'',5'',9',11',26',34'-nonamethyldispiro[oxolane-2,12'-[13,32,38]trioxa-[2,23]diazadodecacyclo[22.20.0.0³,²².0⁵,²⁰.0⁶,¹⁷.0⁹,¹⁶.0¹⁰,¹⁴.0²⁶,⁴³.0²⁷,⁴⁰.0³⁰,³⁵.0³⁰,³⁹.0³⁷,³⁹]Tetratetracontane-33',2''-oxolane]-1',3'(22'),15',23',27'-pentaen-29'-one (PMID: 35487685) (PMID: 35487684) (PMID: 35487683) (PMID: 35487682).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282217032D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282217032D          

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 50 51  1  0  0  0  0
 41 51  1  6  0  0  0
 50 52  1  6  0  0  0
 49 53  1  6  0  0  0
 48 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  6  0  0  0
 47 56  1  1  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 55 60  1  0  0  0  0
 60 61  1  6  0  0  0
 58 62  1  6  0  0  0
 58 63  1  1  0  0  0
 63 64  1  0  0  0  0
 54 65  1  1  0  0  0
 48 66  1  6  0  0  0
 39 67  1  1  0  0  0
 28 68  1  1  0  0  0
  4 69  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0069688

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H](O)[C@]2(OC1(C)C)OC[C@@]13[C@H](C[C@@H]4O[C@]14[C@]1(O)CC[C@H]4CC5=C(C[C@@]4(C)C1=CC3=O)N=C1C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@@]6(C)C4=C[C@H]4O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@@H](C)[C@@]64O)[C@]3(C)CC1=N5)[C@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/C55H74N2O12/c1-25-31-17-43-55(67-43)50(31,24-65-53(25)44(62)26(2)45(4,5)68-53)40(60)19-38-48(8)21-37-35(15-29(48)12-13-51(38,55)63)56-36-20-47(7)28(14-34(36)57-37)10-11-30-32(47)16-39(59)49(9)33(30)18-42-52(49,64)27(3)54(66-42)41(61)22-46(6,23-58)69-54/h18-19,25-32,39,41-44,58-59,61-64H,10-17,20-24H2,1-9H3/t25-,26+,27+,28+,29+,30-,31-,32+,39-,41+,42-,43+,44+,46-,47-,48-,49-,50+,51+,52+,53+,54-,55+/m1/s1

> <INCHI_KEY>
QJKIJCMBSFDTKP-SRQYYHEPSA-N

> <FORMULA>
C55H74N2O12

> <MOLECULAR_WEIGHT>
955.199

> <EXACT_MASS>
954.524175831

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
143

> <JCHEM_AVERAGE_POLARIZABILITY>
104.9401022326892

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,3''S,4''S,5R,5'R,6'S,8'R,9'R,10'R,11'S,14'R,17'R,20'S,26'R,30'S,33'S,34'R,35'R,37'S,39'R,40'S,43'S)-3,3'',8',10',40'-pentahydroxy-5-(hydroxymethyl)-4'',5,5',5'',5'',9',11',26',34'-nonamethyldispiro[oxolane-2,12'-[13,32,38]trioxa-[2,23]diazadodecacyclo[22.20.0.0^{3,22}.0^{5,20}.0^{6,17}.0^{9,16}.0^{10,14}.0^{26,43}.0^{27,40}.0^{30,35}.0^{30,39}.0^{37,39}]tetratetracontane-33',2''-oxolane]-1'(24'),2',15',22',27'-pentaen-29'-one

> <JCHEM_LOGP>
2.662146654333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
14

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.807939355529314

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.3814212209737

> <JCHEM_PKA_STRONGEST_BASIC>
1.4925206802788695

> <JCHEM_POLAR_SURFACE_AREA>
213.67999999999998

> <JCHEM_REFRACTIVITY>
249.08760000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,3''S,4''S,5R,5'R,6'S,8'R,9'R,10'R,11'S,14'R,17'R,20'S,26'R,30'S,33'S,34'R,35'R,37'S,39'R,40'S,43'S)-3,3'',8',10',40'-pentahydroxy-5-(hydroxymethyl)-4'',5,5',5'',5'',9',11',26',34'-nonamethyldispiro[oxolane-2,12'-[13,32,38]trioxa-[2,23]diazadodecacyclo[22.20.0.0^{3,22}.0^{5,20}.0^{6,17}.0^{9,16}.0^{10,14}.0^{26,43}.0^{27,40}.0^{30,35}.0^{30,39}.0^{37,39}]tetratetracontane-33',2''-oxolane]-1'(24'),2',15',22',27'-pentaen-29'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      14.139  -5.566   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.363  -6.896   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.823  -6.890   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.059  -5.553   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.834  -4.223   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.070  -2.886   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.747  -2.869   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.766  -1.542   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.754  -4.210   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.519  -5.546   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.483  -6.687   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.079  -6.054   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.247  -4.523   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.221  -3.375   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.703  -1.912   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.211  -1.598   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.236  -2.747   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.171  -2.066   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.550  -0.657   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.699   0.369   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.030  -0.407   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.317   1.779   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.812   1.628   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.045  -0.330   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.395  -3.397   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.884  -4.139   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.988  -7.013   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      13.374  -4.229   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.150  -2.899   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.690  -2.905   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.454  -4.242   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.679  -5.573   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      17.994  -4.249   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      18.770  -2.918   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.005  -1.581   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      16.465  -1.575   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      18.781  -0.251   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      20.321  -0.257   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      21.085  -1.594   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      20.310  -2.925   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      22.625  -1.601   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      23.401  -0.270   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      22.637   1.066   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      21.097   1.073   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      24.941  -0.277   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      25.976   0.863   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      27.381   0.231   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      27.213  -1.300   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      25.705  -1.614   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      24.930  -2.944   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      23.390  -2.938   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      25.694  -4.281   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      26.605  -2.864   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      28.617  -1.932   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      29.653  -0.792   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      28.888   0.545   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      30.688   0.348   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      32.092  -0.285   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      31.925  -1.815   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      30.417  -2.129   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      29.785  -3.533   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      32.882   1.038   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      33.632  -0.275   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      34.410  -1.604   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      28.931  -3.440   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      27.527  -2.808   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0      21.850  -2.931   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      12.610  -2.892   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      10.732  -7.058   0.000  0.00  0.00           O+0
CONECT    1    2   28   32                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10   69                                             
CONECT    5    4    6   28                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13   17                                             
CONECT   10    9    4   11   27                                             
CONECT   11   10   12   27                                                  
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   26                                                  
CONECT   15   14   16   18   21                                             
CONECT   16   15   17                                                       
CONECT   17   16    9                                                       
CONECT   18   15   19   25                                                  
CONECT   19   18   20   24                                                  
CONECT   20   19   21   22   23                                             
CONECT   21   20   15                                                       
CONECT   22   20                                                            
CONECT   23   20                                                            
CONECT   24   19                                                            
CONECT   25   18                                                            
CONECT   26   14                                                            
CONECT   27   11   10                                                       
CONECT   28    5    1   29   68                                             
CONECT   29   28   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31    1                                                       
CONECT   33   31   34                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35   30                                                       
CONECT   37   35   38                                                       
CONECT   38   37   39   44                                                  
CONECT   39   38   40   41   67                                             
CONECT   40   39   34                                                       
CONECT   41   39   42   51                                                  
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43   38                                                       
CONECT   45   42   46   49                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   56                                                  
CONECT   48   47   49   54   66                                             
CONECT   49   48   45   50   53                                             
CONECT   50   49   51   52                                                  
CONECT   51   50   41                                                       
CONECT   52   50                                                            
CONECT   53   49                                                            
CONECT   54   48   55   65                                                  
CONECT   55   54   56   57   60                                             
CONECT   56   55   47                                                       
CONECT   57   55   58                                                       
CONECT   58   57   59   62   63                                             
CONECT   59   58   60                                                       
CONECT   60   59   55   61                                                  
CONECT   61   60                                                            
CONECT   62   58                                                            
CONECT   63   58   64                                                       
CONECT   64   63                                                            
CONECT   65   54                                                            
CONECT   66   48                                                            
CONECT   67   39                                                            
CONECT   68   28                                                            
CONECT   69    4                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  164    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₅H₇₄N₂O₁₂

Average Mass

955.1990 Da

Monoisotopic Mass

954.52418 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H](O)[C@]2(OC1(C)C)OC[C@@]13[C@H](C[C@@H]4O[C@]14[C@]1(O)CC[C@H]4CC5=C(C[C@@]4(C)C1=CC3=O)N=C1C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@@]6(C)C4=C[C@H]4O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@@H](C)[C@@]64O)[C@]3(C)CC1=N5)[C@H]2C

InChI Identifier

InChI=1S/C55H74N2O12/c1-25-31-17-43-55(67-43)50(31,24-65-53(25)44(62)26(2)45(4,5)68-53)40(60)19-38-48(8)21-37-35(15-29(48)12-13-51(38,55)63)56-36-20-47(7)28(14-34(36)57-37)10-11-30-32(47)16-39(59)49(9)33(30)18-42-52(49,64)27(3)54(66-42)41(61)22-46(6,23-58)69-54/h18-19,25-32,39,41-44,58-59,61-64H,10-17,20-24H2,1-9H3/t25-,26+,27+,28+,29+,30-,31-,32+,39-,41+,42-,43+,44+,46-,47-,48-,49-,50+,51+,52+,53+,54-,55+/m1/s1

InChI Key

QJKIJCMBSFDTKP-SRQYYHEPSA-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
Cephalodiscus gilchristi	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Oxosteroids

Direct Parent

Oxosteroids

Alternative Parents

Substituents

23-hydroxysteroid
17-hydroxysteroid
Oxosteroid
12-oxosteroid
Hydroxysteroid
12-hydroxysteroid
Phenazine
Naphthopyran
Naphthalene
Ketal
Cyclohexenone
Pyrazine
Pyran
Oxane
Monosaccharide
Heteroaromatic compound
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Ketone
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Ether
Oxirane
Dialkyl ether
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	2.66	ChemAxon
pKa (Strongest Acidic)	12.38	ChemAxon
pKa (Strongest Basic)	1.49	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	213.68 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	249.09 m³·mol⁻¹	ChemAxon
Polarizability	104.94 Å³	ChemAxon
Number of Rings	14	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162922624

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ridge KM, Eriksson JE, Pekny M, Goldman RD: Roles of vimentin in health and disease. Genes Dev. 2022 Apr 1;36(7-8):391-407. doi: 10.1101/gad.349358.122. [PubMed:35487686 ]
Comabella M, Sastre-Garriga J, Carbonell-Mirabent P, Fissolo N, Tur C, Malhotra S, Pareto D, Aymerich FX, Rio J, Rovira A, Tintore M, Montalban X: Serum neurofilament light chain levels predict long-term disability progression in patients with progressive multiple sclerosis. J Neurol Neurosurg Psychiatry. 2022 Apr 29. pii: jnnp-2022-329020. doi: 10.1136/jnnp-2022-329020. [PubMed:35487685 ]
Wezenbeek E, Denolf S, Willems TM, Pieters D, Bourgois JG, Philippaerts RM, De Winne B, Wieme M, Van Hecke R, Markey L, Schuermans J, Witvrouw E, Verstockt S: Association between SARS-COV-2 infection and muscle strain injury occurrence in elite male football players: a prospective study of 29 weeks including three teams from the Belgian professional football league. Br J Sports Med. 2022 Apr 29. pii: bjsports-2021-104595. doi: 10.1136/bjsports-2021-104595. [PubMed:35487684 ]
Wagner JL, Smith KJ, Johnson C, Hilaire ML, Medina MS: Best Practices in Syllabus Design. Am J Pharm Educ. 2022 Apr 29:8995. doi: 10.5688/ajpe8995. [PubMed:35487683 ]
Ahlvik-Harju C: Finding more constructive ways forward in the debate over vaccines with increased disability cultural competence. Med Humanit. 2022 Apr 29. pii: medhum-2021-012342. doi: 10.1136/medhum-2021-012342. [PubMed:35487682 ]

Showing NP-Card for Cephalostatin 15 (NP0069688)

MOL for NP0069688 (Cephalostatin 15)

3D MOL for NP0069688 (Cephalostatin 15)

3D SDF for NP0069688 (Cephalostatin 15)

3D-SDF for NP0069688 (Cephalostatin 15)

PDB for NP0069688 (Cephalostatin 15)

3D PDB for NP0069688 (Cephalostatin 15)

SMILES for NP0069688 (Cephalostatin 15)

INCHI for NP0069688 (Cephalostatin 15)

Structure for NP0069688 (Cephalostatin 15)

3D Structure for NP0069688 (Cephalostatin 15)