NP-MRD: Showing NP-Card for (-)-Draconin A (NP0079895)

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Record Information

Version

2.0

Created at

2022-04-29 00:58:21 UTC

Updated at

2022-04-29 00:58:22 UTC

NP-MRD ID

NP0079895

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Draconin A

Description

DRACONIN A belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. (-)-Draconin A is found in Dracaena draco . Based on a literature review very few articles have been published on DRACONIN A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292202582D          

 61 68  0  0  1  0            999 V2000
    7.3489   -2.4940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8023   -3.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.5428   -1.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7192   -1.7568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2659   -1.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6362   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4598   -0.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1829    0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9131   -0.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367   -0.9236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1070   -0.1864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6537    0.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0415    2.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
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 15 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652304292202582D          

 61 68  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 33 32  1  1  0  0  0
 29 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
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 35 42  1  0  0  0  0
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 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 12 50  1  0  0  0  0
 50 51  1  6  0  0  0
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  3 53  1  1  0  0  0
  2 54  1  6  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
  1 58  1  1  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0079895

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]6OC(C)=O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11OCC(=C)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C44H64O17/c1-18-16-54-44(39(52)33(18)50)19(2)32-30(61-44)15-28-26-10-9-24-13-25(48)14-31(43(24,8)27(26)11-12-42(28,32)7)59-40-36(34(51)29(49)17-53-40)60-41-38(58-23(6)47)37(57-22(5)46)35(20(3)55-41)56-21(4)45/h9,19-20,25-41,48-52H,1,10-17H2,2-8H3/t19-,20-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1

> <INCHI_KEY>
MBDYQOIVJMSYGC-KOSUSYEFSA-N

> <FORMULA>
C44H64O17

> <MOLECULAR_WEIGHT>
864.979

> <EXACT_MASS>
864.414350601

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
125

> <JCHEM_AVERAGE_POLARIZABILITY>
91.22687615714617

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-{[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1'S,2S,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-2-methyloxan-3-yl acetate

> <ALOGPS_LOGP>
1.89

> <JCHEM_LOGP>
1.0477598603333313

> <ALOGPS_LOGS>
-3.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.900638413864389

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.12333026064665

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7504752716101084

> <JCHEM_POLAR_SURFACE_AREA>
235.42999999999995

> <JCHEM_REFRACTIVITY>
208.6718000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-{[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1'S,2S,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-2-methyloxan-3-yl acetate

> <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      13.718  -4.655   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.564  -5.942   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.102  -5.853   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      16.793  -4.476   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      15.947  -3.190   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.409  -3.279   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.563  -1.993   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      14.254  -0.616   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      15.792  -0.527   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      13.408   0.670   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.638  -1.814   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      18.175  -1.724   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.866  -0.348   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      18.020   0.939   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      18.711   2.315   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.249   2.404   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.940   3.781   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      22.477   3.870   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      20.094   5.067   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.556   4.978   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.710   6.264   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.173   6.175   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.482   4.799   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.328   3.512   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      17.865   3.602   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.174   2.225   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.637   2.136   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.099   2.046   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.253   3.333   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.944   4.709   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.849   5.792   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.481   5.085   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.731   3.565   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.363   2.858   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.267   3.941   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.959   5.317   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.724   2.500   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       7.204   2.250   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.228   3.441   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.708   3.192   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.772   4.882   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.291   5.132   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.835   6.573   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       5.796   6.073   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      10.130   1.336   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      12.422   2.037   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      20.404  -0.258   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      21.250  -1.545   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      20.559  -2.921   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      19.021  -3.011   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      18.330  -4.387   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      21.405  -4.208   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      16.948  -7.139   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      13.873  -7.318   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      14.719  -8.605   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      14.028  -9.981   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      16.257  -8.515   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      12.181  -4.745   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      11.334  -3.458   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      12.026  -2.082   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0       9.797  -3.548   0.000  0.00  0.00           C+0
CONECT    1    2    6   58                                                  
CONECT    2    1    3   54                                                  
CONECT    3    2    4   53                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5   12                                                       
CONECT   12   11   13   50                                                  
CONECT   13   12   14   47                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   25                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   30                                                  
CONECT   24   23   25   27                                                  
CONECT   25   24   15   20   26                                             
CONECT   26   25                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   33   46                                             
CONECT   30   29   23   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   29   34                                                  
CONECT   34   33   35   45                                                  
CONECT   35   34   36   37   42                                             
CONECT   36   35   32                                                       
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   44                                                  
CONECT   42   41   35   43                                                  
CONECT   43   42                                                            
CONECT   44   41                                                            
CONECT   45   34                                                            
CONECT   46   29                                                            
CONECT   47   13   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   52                                                  
CONECT   50   49   12   51                                                  
CONECT   51   50                                                            
CONECT   52   49                                                            
CONECT   53    3                                                            
CONECT   54    2   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55                                                            
CONECT   58    1   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  136    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₄H₆₄O₁₇

Average Mass

864.9790 Da

Monoisotopic Mass

864.41435 Da

IUPAC Name

(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-{[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1'S,2S,2'S,3S,4S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-2-methyloxan-3-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]6OC(C)=O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11OCC(=C)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C44H64O17/c1-18-16-54-44(39(52)33(18)50)19(2)32-30(61-44)15-28-26-10-9-24-13-25(48)14-31(43(24,8)27(26)11-12-42(28,32)7)59-40-36(34(51)29(49)17-53-40)60-41-38(58-23(6)47)37(57-22(5)46)35(20(3)55-41)56-21(4)45/h9,19-20,25-41,48-52H,1,10-17H2,2-8H3/t19-,20-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1

InChI Key

MBDYQOIVJMSYGC-KOSUSYEFSA-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
Dracaena draco	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal saponins

Alternative Parents

Substituents

Steroidal saponin
Triterpenoid
Spirostane skeleton
24-hydroxysteroid
23-hydroxysteroid
3-beta-hydroxysteroid
3-beta-hydroxy-delta-5-steroid
3-hydroxy-delta-5-steroid
Hydroxysteroid
3-hydroxysteroid
Delta-5-steroid
Disaccharide
Glycosyl compound
O-glycosyl compound
Tricarboxylic acid or derivatives
Ketal
Oxane
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Polyol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alcohol
Organooxygen compound
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	1.89	ALOGPS
logP	1.05	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	12.12	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	235.43 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	208.67 m³·mol⁻¹	ChemAxon
Polarizability	91.23 Å³	ChemAxon
Number of Rings	8	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

C00044728

Chemspider ID

9030215

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10854922

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Draconin A (NP0079895)

MOL for NP0079895 ((-)-Draconin A)

3D MOL for NP0079895 ((-)-Draconin A)

3D SDF for NP0079895 ((-)-Draconin A)

3D-SDF for NP0079895 ((-)-Draconin A)

PDB for NP0079895 ((-)-Draconin A)

3D PDB for NP0079895 ((-)-Draconin A)

SMILES for NP0079895 ((-)-Draconin A)

INCHI for NP0079895 ((-)-Draconin A)

Structure for NP0079895 ((-)-Draconin A)

3D Structure for NP0079895 ((-)-Draconin A)