NP-MRD: Showing NP-Card for Talarotetramate F (NP0351108)

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Record Information

Version

2.0

Created at

2025-06-03 06:07:45 UTC

Updated at

2025-07-24 17:38:01 UTC

NP-MRD ID

NP0351108

Natural Product DOI

https://doi.org/10.57994/4097

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Talarotetramate F

Description

Based on a literature review very few articles have been published on Talarotetramate F.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162308312D          

 39 43  0  0  1  0            999 V2000
   -0.6561    2.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    2.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615    2.3574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2970    3.1111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8121    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1477    4.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916    3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067    4.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8423    5.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    4.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493    3.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175    3.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6024    2.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2669    1.7762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0874    1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4464    1.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6259    1.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1108    0.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.3551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9012   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    1.5175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8054    0.6925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5199    1.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.4375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3564   -0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -1.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -2.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -2.9859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641    1.1050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341    2.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 15 23  1  0  0  0  0
 24  2  1  6  0  0  0
 25 24  1  0  0  0  0
 25 26  1  1  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  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
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 29 35  1  0  0  0  0
 27 36  1  6  0  0  0
 27 37  1  0  0  0  0
 37 38  1  0  0  0  0
 24 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END


  Mrv2104 03162308312D          

 39 43  0  0  1  0            999 V2000
   -0.6561    2.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    2.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615    2.3574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2970    3.1111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8121    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1477    4.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916    3.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067    4.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8423    5.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    4.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493    3.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175    3.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6024    2.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2669    1.7762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0874    1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4464    1.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6259    1.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1108    0.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.3551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9012   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    1.5175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8054    0.6925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5199    1.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.4375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3564   -0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -1.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -2.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -2.9859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641    1.1050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341    2.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 15 23  1  0  0  0  0
 24  2  1  6  0  0  0
 25 24  1  0  0  0  0
 25 26  1  1  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  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
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 29 35  1  0  0  0  0
 27 36  1  6  0  0  0
 27 37  1  0  0  0  0
 37 38  1  0  0  0  0
 24 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351108

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@@H](C)C[C@@]1(C)C=C(C)[C@H]([C@H]2C(=O)[C@@]12O[C@@H]1[C@](O)(CC1=CC=C(O)C=C1)NC2=O)C(\C)=C\[C@@H](C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C32H43NO5/c1-7-18(2)14-20(4)25-21(5)16-30(6)15-19(3)8-13-24(30)26(25)27(35)32-28(38-32)31(37,33-29(32)36)17-22-9-11-23(34)12-10-22/h9-12,14,16,18-19,24-26,28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b20-14+/t18-,19+,24-,25+,26-,28+,30-,31+,32+/m0/s1

> <INCHI_KEY>
BNYCPXNBZUJHNN-HAMGRLBKSA-N

> <FORMULA>
C32H43NO5

> <MOLECULAR_WEIGHT>
521.698

> <EXACT_MASS>
521.314123489

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
59.37056852739825

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R,5S)-1-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4S)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-4-[(4-hydroxyphenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

> <JCHEM_LOGP>
6.302045563666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.698438659110085

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.458678047701913

> <JCHEM_PKA_STRONGEST_BASIC>
-4.036692192146651

> <JCHEM_POLAR_SURFACE_AREA>
99.16

> <JCHEM_REFRACTIVITY>
148.6618

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,5S)-1-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4S)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-4-hydroxy-4-[(4-hydroxyphenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  O   UNK     0      -1.225   5.485   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.130   4.239   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.661   4.400   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.288   5.807   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.383   7.053   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.009   8.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.851   6.892   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.946   8.138   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.572   9.545   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.586   7.977   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.212   6.570   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.819   5.968   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.446   7.375   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.725   4.722   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.098   3.316   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.630   3.477   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.567   3.155   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0      -3.035   2.994   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0      -3.940   1.748   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.845   0.502   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.377   0.663   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.282  -0.583   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.003   2.070   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.503   2.833   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.503   1.293   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -2.837   2.063   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.039   0.817   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.665  -0.590   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.240  -1.836   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.772  -1.675   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.677  -2.921   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.050  -4.328   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.956  -5.574   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       0.519  -4.489   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.386  -3.243   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.295   0.047   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0       0.866   2.063   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      -0.039   3.308   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       0.437   4.773   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    4   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17   23                                             
CONECT   16   15                                                            
CONECT   17   15    3   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   15                                                       
CONECT   24    2   25   26   38                                             
CONECT   25   24   26   27                                                  
CONECT   26   25   24                                                       
CONECT   27   25   28   36   37                                             
CONECT   28   27   29                                                       
CONECT   29   28   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   29                                                       
CONECT   36   27                                                            
CONECT   37   27   38                                                       
CONECT   38   37   24   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Value	Source
Talarotetramic acid F	Generator

Chemical Formula

C₃₂H₄₃NO₅

Average Mass

521.6980 Da

Monoisotopic Mass

521.31412 Da

IUPAC Name

(1S,4R,5S)-1-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4S)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-4-[(4-hydroxyphenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

Traditional Name

(1S,4R,5S)-1-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4S)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-4-hydroxy-4-[(4-hydroxyphenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@@H](C)C[C@@]1(C)C=C(C)[C@H]([C@H]2C(=O)[C@@]12O[C@@H]1[C@](O)(CC1=CC=C(O)C=C1)NC2=O)C(\C)=C\[C@@H](C)CC

InChI Identifier

InChI=1S/C32H43NO5/c1-7-18(2)14-20(4)25-21(5)16-30(6)15-19(3)8-13-24(30)26(25)27(35)32-28(38-32)31(37,33-29(32)36)17-22-9-11-23(34)12-10-22/h9-12,14,16,18-19,24-26,28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b20-14+/t18-,19+,24-,25+,26-,28+,30-,31+,32+/m0/s1

InChI Key

BNYCPXNBZUJHNN-HAMGRLBKSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	niusiwen@tio.org.cn	Third Institute of Oceanography, Ministry of Natural Resources	Siwen Niu	2025-06-03	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	6.3	ChemAxon
pKa (Strongest Acidic)	9.46	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	99.16 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	148.66 m³·mol⁻¹	ChemAxon
Polarizability	59.37 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

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

Showing NP-Card for Talarotetramate F (NP0351108)

MOL for NP0351108 (Talarotetramate F)

3D MOL for NP0351108 (Talarotetramate F)

3D SDF for NP0351108 (Talarotetramate F)

3D-SDF for NP0351108 (Talarotetramate F)

PDB for NP0351108 (Talarotetramate F)

3D PDB for NP0351108 (Talarotetramate F)

SMILES for NP0351108 (Talarotetramate F)

INCHI for NP0351108 (Talarotetramate F)

Structure for NP0351108 (Talarotetramate F)

3D Structure for NP0351108 (Talarotetramate F)