NP-MRD: Showing NP-Card for (20R)-Protopanaxdiol (NP0139937)

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Record Information

Version

2.0

Created at

2022-06-29 20:17:30 UTC

Updated at

2022-06-29 20:17:30 UTC

NP-MRD ID

NP0139937

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(20R)-Protopanaxdiol

Description

Protopanaxadiol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, protopanaxadiol is considered to be an isoprenoid lipid molecule. (20R)-Protopanaxdiol is found in Panax ginseng. (20R)-Protopanaxdiol was first documented in 2013 (PMID: 23281928). Protopanaxadiol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 23391424).

Structure

MOL 3D MOL SDF PDB SMILES InChI

9920281
  Mrv1652307301919582D          

 85 88  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END

9920281
  Mrv1652307301919582D          

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 22 24  1  0  0  0  0
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 27 29  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 31  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 80  1  0  0  0  0
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 33 83  1  0  0  0  0
 33 84  1  0  0  0  0
 33 85  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0139937

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@@]12[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1

> <INCHI_KEY>
PYXFVCFISTUSOO-VUFVRDRTSA-N

> <FORMULA>
C30H52O3

> <MOLECULAR_WEIGHT>
460.743

> <EXACT_MASS>
460.391645534

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
57.194952446245544

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,16-diol

> <JCHEM_LOGP>
5.531937804999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.150133290201893

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.53039578199013

> <JCHEM_PKA_STRONGEST_BASIC>
-0.835121836431343

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
137.23590000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,16-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JUL-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 9920281                                           
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-19         0                                  
HETATM    1  O   UNK     0      10.877   1.884   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.905  -5.127   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      15.610   1.029   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      10.877  -2.736   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.211  -1.966   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.543  -1.966   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.142  -2.746   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.211  -0.426   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.129  -4.351   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.902  -4.340   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.543  -0.426   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.668   0.043   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.877   0.344   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.668  -2.435   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.519  -5.153   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.689  -5.197   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.567  -1.196   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.714  -1.878   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.867  -3.916   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.737  -3.413   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.154  -1.206   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.242  -4.362   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.146   1.507   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.255  -2.691   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.924  -6.534   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.464  -6.528   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.625   2.971   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.682   1.986   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      16.132   3.289   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.610   4.752   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      18.117   5.070   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.595   6.534   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      19.146   3.924   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0      10.677  -1.311   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      12.349   0.876   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       8.134  -5.660   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      11.237  -5.234   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      11.840  -4.162   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       9.217   0.471   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       8.603  -0.592   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      14.961   0.246   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      11.704   0.821   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      13.281  -3.308   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0      14.495  -2.911   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0       8.907  -5.886   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0      10.136  -5.881   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0      15.276  -1.835   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      15.276  -0.557   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       7.343  -1.159   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       6.114  -1.135   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      11.135  -4.529   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0      12.481  -4.647   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0      12.598  -3.302   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0      11.840  -3.740   0.000  0.00  0.00           H+0
HETATM   55  H   UNK     0      13.064  -4.310   0.000  0.00  0.00           H+0
HETATM   56  H   UNK     0      13.635  -3.086   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0       9.109  -1.214   0.000  0.00  0.00           H+0
HETATM   58  H   UNK     0       8.161  -0.252   0.000  0.00  0.00           H+0
HETATM   59  H   UNK     0       7.199  -1.199   0.000  0.00  0.00           H+0
HETATM   60  H   UNK     0       5.240  -5.317   0.000  0.00  0.00           H+0
HETATM   61  H   UNK     0       4.940  -1.790   0.000  0.00  0.00           H+0
HETATM   62  H   UNK     0       4.313  -2.847   0.000  0.00  0.00           H+0
HETATM   63  H   UNK     0       5.095  -6.060   0.000  0.00  0.00           H+0
HETATM   64  H   UNK     0       5.450  -7.363   0.000  0.00  0.00           H+0
HETATM   65  H   UNK     0       6.753  -7.008   0.000  0.00  0.00           H+0
HETATM   66  H   UNK     0       6.639  -7.009   0.000  0.00  0.00           H+0
HETATM   67  H   UNK     0       7.945  -7.353   0.000  0.00  0.00           H+0
HETATM   68  H   UNK     0       8.289  -6.047   0.000  0.00  0.00           H+0
HETATM   69  H   UNK     0      10.050   2.361   0.000  0.00  0.00           H+0
HETATM   70  H   UNK     0      14.593   3.925   0.000  0.00  0.00           H+0
HETATM   71  H   UNK     0      13.680   3.106   0.000  0.00  0.00           H+0
HETATM   72  H   UNK     0      12.979   2.893   0.000  0.00  0.00           H+0
HETATM   73  H   UNK     0      11.775   2.282   0.000  0.00  0.00           H+0
HETATM   74  H   UNK     0      12.386   1.078   0.000  0.00  0.00           H+0
HETATM   75  H   UNK     0       3.080  -4.646   0.000  0.00  0.00           H+0
HETATM   76  H   UNK     0      16.321   1.666   0.000  0.00  0.00           H+0
HETATM   77  H   UNK     0      16.163   2.334   0.000  0.00  0.00           H+0
HETATM   78  H   UNK     0      17.077   3.154   0.000  0.00  0.00           H+0
HETATM   79  H   UNK     0      15.972   5.463   0.000  0.00  0.00           H+0
HETATM   80  H   UNK     0      19.503   6.237   0.000  0.00  0.00           H+0
HETATM   81  H   UNK     0      18.892   7.441   0.000  0.00  0.00           H+0
HETATM   82  H   UNK     0      17.688   6.831   0.000  0.00  0.00           H+0
HETATM   83  H   UNK     0      18.435   3.286   0.000  0.00  0.00           H+0
HETATM   84  H   UNK     0      19.783   3.213   0.000  0.00  0.00           H+0
HETATM   85  H   UNK     0      19.856   4.561   0.000  0.00  0.00           H+0
CONECT    1   13   69                                                       
CONECT    2   22   75                                                       
CONECT    3   23   76                                                       
CONECT    4    5    6   10   19                                             
CONECT    5    4    8   14   20                                             
CONECT    6    4    7   11   34                                             
CONECT    7    6    9   18   21                                             
CONECT    8    5   12   13   35                                             
CONECT    9    7   15   16   36                                             
CONECT   10    4   15   37   38                                             
CONECT   11    6   13   39   40                                             
CONECT   12    8   17   23   41                                             
CONECT   13    1    8   11   42                                             
CONECT   14    5   17   43   44                                             
CONECT   15    9   10   45   46                                             
CONECT   16    9   22   25   26                                             
CONECT   17   12   14   47   48                                             
CONECT   18    7   24   49   50                                             
CONECT   19    4   51   52   53                                             
CONECT   20    5   54   55   56                                             
CONECT   21    7   57   58   59                                             
CONECT   22    2   16   24   60                                             
CONECT   23    3   12   27   28                                             
CONECT   24   18   22   61   62                                             
CONECT   25   16   63   64   65                                             
CONECT   26   16   66   67   68                                             
CONECT   27   23   29   70   71                                             
CONECT   28   23   72   73   74                                             
CONECT   29   27   30   77   78                                             
CONECT   30   29   31   79                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   80   81   82                                             
CONECT   33   31   83   84   85                                             
CONECT   34    6                                                            
CONECT   35    8                                                            
CONECT   36    9                                                            
CONECT   37   10                                                            
CONECT   38   10                                                            
CONECT   39   11                                                            
CONECT   40   11                                                            
CONECT   41   12                                                            
CONECT   42   13                                                            
CONECT   43   14                                                            
CONECT   44   14                                                            
CONECT   45   15                                                            
CONECT   46   15                                                            
CONECT   47   17                                                            
CONECT   48   17                                                            
CONECT   49   18                                                            
CONECT   50   18                                                            
CONECT   51   19                                                            
CONECT   52   19                                                            
CONECT   53   19                                                            
CONECT   54   20                                                            
CONECT   55   20                                                            
CONECT   56   20                                                            
CONECT   57   21                                                            
CONECT   58   21                                                            
CONECT   59   21                                                            
CONECT   60   22                                                            
CONECT   61   24                                                            
CONECT   62   24                                                            
CONECT   63   25                                                            
CONECT   64   25                                                            
CONECT   65   25                                                            
CONECT   66   26                                                            
CONECT   67   26                                                            
CONECT   68   26                                                            
CONECT   69    1                                                            
CONECT   70   27                                                            
CONECT   71   27                                                            
CONECT   72   28                                                            
CONECT   73   28                                                            
CONECT   74   28                                                            
CONECT   75    2                                                            
CONECT   76    3                                                            
CONECT   77   29                                                            
CONECT   78   29                                                            
CONECT   79   30                                                            
CONECT   80   32                                                            
CONECT   81   32                                                            
CONECT   82   32                                                            
CONECT   83   33                                                            
CONECT   84   33                                                            
CONECT   85   33                                                            
MASTER        0    0    0    0    0    0    0    0   85    0  176    0
END

View in JSmol

Synonyms

Value	Source
24-Dammarene-3beta,12beta,20R-triol	ChEBI
Dammar-24-ene-3beta,12beta,20R-triol	ChEBI
24-Dammarene-3b,12b,20R-triol	Generator
24-Dammarene-3β,12β,20R-triol	Generator
Dammar-24-ene-3b,12b,20R-triol	Generator
Dammar-24-ene-3β,12β,20R-triol	Generator
Protopanaxadiol, (3beta,12beta)-isomer	MeSH
20(S)-Protopanaxadiol	MeSH

Chemical Formula

C₃₀H₅₂O₃

Average Mass

460.7430 Da

Monoisotopic Mass

460.39165 Da

IUPAC Name

(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,16-diol

Traditional Name

(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,16-diol

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@@]12[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1

InChI Key

PYXFVCFISTUSOO-VUFVRDRTSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Panax ginseng	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
20-hydroxysteroid
3-hydroxysteroid
12-hydroxysteroid
Hydroxysteroid
14-alpha-methylsteroid
3-beta-hydroxysteroid
Steroid
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

protopanaxadiol (CHEBI:76237 )
Dammarane triterpenoids (LMPR0106080003 )

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	5.53	ChemAxon
pKa (Strongest Acidic)	14.53	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	60.69 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	137.24 m³·mol⁻¹	ChemAxon
Polarizability	57.19 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

FDB014676

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Protopanaxadiol

METLIN ID

Not Available

PubChem Compound

9920281

PDB ID

Not Available

ChEBI ID

76237

Good Scents ID

Not Available

References

General References

Wang CZ, Li B, Wen XD, Zhang Z, Yu C, Calway TD, He TC, Du W, Yuan CS: Paraptosis and NF-kappaB activation are associated with protopanaxadiol-induced cancer chemoprevention. BMC Complement Altern Med. 2013 Jan 3;13:2. doi: 10.1186/1472-6882-13-2. [PubMed:23281928 ]
Kong LT, Wang Q, Xiao BX, Liao YH, He XX, Ye LH, Liu XM, Chang Q: Different pharmacokinetics of the two structurally similar dammarane sapogenins, protopanaxatriol and protopanaxadiol, in rats. Fitoterapia. 2013 Apr;86:48-53. doi: 10.1016/j.fitote.2013.01.019. Epub 2013 Feb 4. [PubMed:23391424 ]

Showing NP-Card for (20R)-Protopanaxdiol (NP0139937)

MOL for NP0139937 ((20R)-Protopanaxdiol)

3D MOL for NP0139937 ((20R)-Protopanaxdiol)

3D SDF for NP0139937 ((20R)-Protopanaxdiol)

3D-SDF for NP0139937 ((20R)-Protopanaxdiol)

PDB for NP0139937 ((20R)-Protopanaxdiol)

3D PDB for NP0139937 ((20R)-Protopanaxdiol)

SMILES for NP0139937 ((20R)-Protopanaxdiol)

INCHI for NP0139937 ((20R)-Protopanaxdiol)

Structure for NP0139937 ((20R)-Protopanaxdiol)

3D Structure for NP0139937 ((20R)-Protopanaxdiol)