NP-MRD: Showing NP-Card for Rosellichalasin (NP0058056)

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Record Information

Version

2.0

Created at

2022-04-28 03:23:54 UTC

Updated at

2022-04-28 03:23:54 UTC

NP-MRD ID

NP0058056

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rosellichalasin

Description

(1S,5E,8S,12S,13S,15R,16S,17S,18S)-18-benzyl-20-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0¹,¹⁷.0¹³,¹⁵]Icosa-5,10,19-triene-3,7-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Rosellichalasin is found in Aspergillus flavipes and Rosellinia necatrix. Based on a literature review very few articles have been published on (1S,5E,8S,12S,13S,15R,16S,17S,18S)-18-benzyl-20-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0¹,¹⁷.0¹³,¹⁵]Icosa-5,10,19-triene-3,7-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282205232D          

 34 38  0  0  1  0            999 V2000
    1.3564   -2.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -1.5005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9753   -0.9053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2576    0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -0.5259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1782   -2.0354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8314   -1.2271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8529   -0.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9801   -0.1321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5691   -1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3657   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3443   -2.6434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6193   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6748   -2.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1619   -3.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2199   -3.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7511   -1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
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  7  5  1  1  0  0  0
  8  7  1  1  0  0  0
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  7 12  1  0  0  0  0
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 17 18  2  0  0  0  0
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  9 29  1  1  0  0  0
  1 30  2  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
  1 34  1  0  0  0  0
M  END

     RDKit          3D

 67 71  0  0  0  0  0  0  0  0999 V2000
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    4.6683    1.0344   -1.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2423    2.3831    2.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3096    2.2004    1.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606   -0.1773   -1.1659 C   0  0  2  0  0  0  0  0  0  0  0  0
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 27  8  1  0
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M  END


  Mrv1652304282205232D          

 34 38  0  0  1  0            999 V2000
    1.3564   -2.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -1.5005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9753   -0.9053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2576    0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -0.5259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1782   -2.0354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8314   -1.2271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5691   -1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3657   -1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3443   -2.6434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6193   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6748   -2.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -2.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541   -1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407   -1.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677   -1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619   -3.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871   -0.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339   -2.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3854   -3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199   -3.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7511   -1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  1  0  0  0
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  3  8  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 19 25  1  0  0  0  0
 16 26  1  6  0  0  0
 11 27  1  6  0  0  0
 10 27  1  0  0  0  0
 10 28  1  1  0  0  0
  9 29  1  1  0  0  0
  1 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
  1 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0058056

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]22OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@H]2[C@@H]2O[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13+/t16-,18-,20-,21-,23-,25-,27+,28+/m0/s1

> <INCHI_KEY>
XNIXILZHFOBLTQ-RDTBASBDSA-N

> <FORMULA>
C28H33NO5

> <MOLECULAR_WEIGHT>
463.574

> <EXACT_MASS>
463.235873167

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
49.978933840903764

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5E,8S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-5,10-diene-3,7,20-trione

> <ALOGPS_LOGP>
3.95

> <JCHEM_LOGP>
4.013046811333332

> <ALOGPS_LOGS>
-5.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.039697463505338

> <JCHEM_PKA_STRONGEST_BASIC>
-4.176011169953813

> <JCHEM_POLAR_SURFACE_AREA>
85.0

> <JCHEM_REFRACTIVITY>
128.9644

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.15e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5E,8S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-5,10-diene-3,7,20-trione

> <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       2.532  -4.692   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.798  -4.300   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.410  -2.801   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       3.687  -1.690   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       4.625  -0.468   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.214   1.087   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.076  -0.982   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.352  -2.221   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.799  -3.799   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.019  -2.291   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.059  -0.751   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.430  -0.247   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.569  -1.216   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.529  -2.755   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.016  -3.395   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.976  -4.934   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.623  -5.669   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.892  -7.341   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.860  -4.391   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.956  -5.600   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.643  -4.796   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.683  -3.256   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.901  -3.046   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.863  -2.686   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.406  -2.780   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.502  -5.641   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.056  -1.855   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.210  -4.162   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.432  -5.536   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.191  -6.193   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.719  -6.649   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.410  -5.602   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.069  -4.100   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.402  -3.645   0.000  0.00  0.00           C+0
CONECT    1    2   30   34                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   12   24                                             
CONECT    8    7    3    9                                                  
CONECT    9    8   10   29                                                  
CONECT   10    9   11   27   28                                             
CONECT   11   10   12   27                                                  
CONECT   12   11    7   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   26                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    7                                                       
CONECT   25   19                                                            
CONECT   26   16                                                            
CONECT   27   11   10                                                       
CONECT   28   10                                                            
CONECT   29    9                                                            
CONECT   30    1   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33    1                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₃NO₅

Average Mass

463.5740 Da

Monoisotopic Mass

463.23587 Da

IUPAC Name

(1S,5E,8S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-5,10-diene-3,7,20-trione

Traditional Name

(1S,5E,8S,10E,12S,13S,15R,16S,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0^{1,17}.0^{13,15}]icosa-5,10-diene-3,7,20-trione

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]22OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@H]2[C@@H]2O[C@]12C

InChI Identifier

InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13+/t16-,18-,20-,21-,23-,25-,27+,28+/m0/s1

InChI Key

XNIXILZHFOBLTQ-RDTBASBDSA-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
Aspergillus flavipes	LOTUS Database	35616633
Rosellinia necatrix	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Isoindole or derivatives
Oxepane
Monocyclic benzene moiety
Benzenoid
Pyrroline
Cyclic carboximidic acid
Carboxylic acid ester
Ketone
Lactone
Cyclic ketone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organopnictogen compound
Organic oxide
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	3.95	ALOGPS
logP	4.01	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	13.04	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	85 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	128.96 m³·mol⁻¹	ChemAxon
Polarizability	49.98 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

88298431

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

154731729

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Rosellichalasin (NP0058056)

MOL for NP0058056 (Rosellichalasin)

3D MOL for NP0058056 (Rosellichalasin)

3D SDF for NP0058056 (Rosellichalasin)

3D-SDF for NP0058056 (Rosellichalasin)

PDB for NP0058056 (Rosellichalasin)

3D PDB for NP0058056 (Rosellichalasin)

SMILES for NP0058056 (Rosellichalasin)

INCHI for NP0058056 (Rosellichalasin)

Structure for NP0058056 (Rosellichalasin)

3D Structure for NP0058056 (Rosellichalasin)