NP-MRD: Showing NP-Card for (-)-Scammonin I (NP0082682)

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Record Information

Version

2.0

Created at

2022-04-29 03:45:53 UTC

Updated at

2022-04-29 03:45:53 UTC

NP-MRD ID

NP0082682

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Scammonin I

Description

CHEMBL503387 belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. (-)-Scammonin I is found in Convolvulus scammonia and Ipomoea orizabensis . Based on a literature review very few articles have been published on CHEMBL503387.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292205452D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304292205452D          

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 45 58  1  1  0  0  0
 40 59  1  6  0  0  0
  6 60  1  6  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
  4 65  1  1  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
  3 68  1  0  0  0  0
 68 69  1  1  0  0  0
 67 70  1  6  0  0  0
 66 71  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0082682

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O[C@@H]3O[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)[C@@H]2OC(=O)[C@@H](C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26-,27+,28+,29-,30-,31+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1

> <INCHI_KEY>
DGRGOOVTCYVEDQ-GHYHFUIZSA-N

> <FORMULA>
C50H84O21

> <MOLECULAR_WEIGHT>
1021.201

> <EXACT_MASS>
1020.550509725

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
155

> <JCHEM_AVERAGE_POLARIZABILITY>
107.58621329118651

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0^{3,8}.0^{10,15}]tritriacontan-30-yl]oxy}oxan-3-yl (2E)-2-methylbut-2-enoate

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
5.933876128

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.569072128494817

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.04140564591036

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083802044763

> <JCHEM_POLAR_SURFACE_AREA>
294.34999999999997

> <JCHEM_REFRACTIVITY>
247.06670000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0^{3,8}.0^{10,15}]tritriacontan-30-yl]oxy}oxan-3-yl (2E)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      12.058  -2.516   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      12.828  -3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      14.368  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.138  -5.184   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      14.368  -6.517   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.828  -6.517   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.058  -7.851   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.518  -7.851   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.748  -9.185   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.377  -8.554   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.438 -10.518   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.898 -10.518   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.128  -9.185   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.588  -9.185   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.818  -7.851   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.588  -6.517   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.818  -5.184   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.185  -6.307   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.898  -5.184   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.438  -5.184   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.208  -6.517   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.438  -7.851   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.208  -9.185   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.898  -7.851   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.754  -6.821   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.492  -8.477   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.331 -10.009   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.208  -3.850   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       9.748  -3.850   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.518  -2.516   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.748  -1.183   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.518   0.151   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.058   0.151   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.828  -1.183   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      12.828   1.485   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      12.058   2.818   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.748   1.485   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.208  -1.183   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       7.438  -2.516   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.898  -2.516   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.128  -3.850   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.588  -3.850   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.818  -2.516   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       3.588  -1.183   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       2.818   0.151   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       1.278   0.151   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       0.508  -1.183   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       1.278  -2.516   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       0.508  -3.850   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -1.032  -1.183   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       0.508   1.485   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      -1.032   1.485   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -1.802   0.151   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -1.802   2.818   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -3.342   2.818   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -4.112   4.152   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -1.032   4.152   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       3.588   1.485   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       5.128  -1.183   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      13.598  -7.851   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      12.828  -9.185   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      13.598 -10.518   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      12.828 -11.852   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      13.598 -13.186   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      16.678  -5.184   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      17.448  -3.850   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      16.678  -2.516   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      15.138  -2.516   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      14.368  -1.183   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      17.448  -1.183   0.000  0.00  0.00           O+0
HETATM   71  C   UNK     0      18.988  -3.850   0.000  0.00  0.00           C+0
CONECT    1    2   30   34                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   68                                                  
CONECT    4    3    5   65                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   60                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   41                                                  
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28   20   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29    1   31                                                  
CONECT   31   30   32   38                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33    1                                                       
CONECT   35   33   36                                                       
CONECT   36   35                                                            
CONECT   37   32                                                            
CONECT   38   31                                                            
CONECT   39   28   40                                                       
CONECT   40   39   41   59                                                  
CONECT   41   40   19   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   48                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   58                                                  
CONECT   46   45   47   51                                                  
CONECT   47   46   48   50                                                  
CONECT   48   47   43   49                                                  
CONECT   49   48                                                            
CONECT   50   47                                                            
CONECT   51   46   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   57                                                  
CONECT   55   54   56                                                       
CONECT   56   55                                                            
CONECT   57   54                                                            
CONECT   58   45                                                            
CONECT   59   40                                                            
CONECT   60    6   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63                                                            
CONECT   65    4   66                                                       
CONECT   66   65   67   71                                                  
CONECT   67   66   68   70                                                  
CONECT   68   67    3   69                                                  
CONECT   69   68                                                            
CONECT   70   67                                                            
CONECT   71   66                                                            
MASTER        0    0    0    0    0    0    0    0   71    0  150    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₀H₈₄O₂₁

Average Mass

1021.2010 Da

Monoisotopic Mass

1020.55051 Da

IUPAC Name

(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0^{3,8}.0^{10,15}]tritriacontan-30-yl]oxy}oxan-3-yl (2E)-2-methylbut-2-enoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O[C@@H]3O[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)[C@@H]2OC(=O)[C@@H](C)CC

InChI Identifier

InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26-,27+,28+,29-,30-,31+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1

InChI Key

DGRGOOVTCYVEDQ-GHYHFUIZSA-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
Convolvulus scammonia	LOTUS Database	35616633
Ipomoea orizabensis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Fatty acyl glycoside
Macrolide
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
Tricarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Lactone
Carboxylic acid ester
Acetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Polyol
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Primary alcohol
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	2.79	ALOGPS
logP	5.93	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.04	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	294.35 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	247.07 m³·mol⁻¹	ChemAxon
Polarizability	107.59 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

23339064

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44593484

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (-)-Scammonin I (NP0082682)

MOL for NP0082682 ((-)-Scammonin I)

3D MOL for NP0082682 ((-)-Scammonin I)

3D SDF for NP0082682 ((-)-Scammonin I)

3D-SDF for NP0082682 ((-)-Scammonin I)

PDB for NP0082682 ((-)-Scammonin I)

3D PDB for NP0082682 ((-)-Scammonin I)

SMILES for NP0082682 ((-)-Scammonin I)

INCHI for NP0082682 ((-)-Scammonin I)

Structure for NP0082682 ((-)-Scammonin I)

3D Structure for NP0082682 ((-)-Scammonin I)