NP-MRD: Showing NP-Card for 25-O-methylcimigenol-3-O-beta-D-xylopyranoside (NP0140912)

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Record Information

Version

2.0

Created at

2022-06-29 21:58:10 UTC

Updated at

2022-06-29 21:58:10 UTC

NP-MRD ID

NP0140912

Secondary Accession Numbers

None

Natural Product Identification

Common Name

25-O-methylcimigenol-3-O-beta-D-xylopyranoside

Description

25-O-Methylcimigenol-3-o-beta-D-xyloside belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. 25-O-methylcimigenol-3-O-beta-D-xylopyranoside is found in Actaea pachypoda. Based on a literature review very few articles have been published on 25-O-Methylcimigenol-3-o-beta-D-xyloside.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306292223582D          

 45 52  0  0  1  0            999 V2000
    3.5040   -1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -1.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6688   -0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9722   -0.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0823    0.6793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2898    1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    0.4189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3228   -0.4074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4904   -0.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9195   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880    0.0192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3171   -0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    0.2159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4841   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -0.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    0.6091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9448    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436    1.0081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4273    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589    0.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2590    0.4218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9446    0.8942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9409    1.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762    2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169    0.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472    1.5980    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3485    1.7946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5788    2.5868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0079    3.1824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2067    2.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    2.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2382    3.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800    2.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194    1.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2771    0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5278    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 22 21  1  1  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  1  0  0  0
 23 26  1  1  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 17 29  1  6  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  6  0  0  0
 32 37  1  1  0  0  0
 31 38  1  6  0  0  0
  9 39  1  6  0  0  0
  7 40  1  6  0  0  0
  4 40  1  6  0  0  0
  5 41  1  6  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END


  Mrv1652306292223582D          

 45 52  0  0  1  0            999 V2000
    3.5040   -1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -1.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6688   -0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9722   -0.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0823    0.6793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2898    1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    0.4189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3228   -0.4074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4904   -0.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9195   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880    0.0192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3171   -0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    0.2159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4841   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -0.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    0.6091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9448    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436    1.0081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4273    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589    0.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2590    0.4218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9446    0.8942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9409    1.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762    2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169    0.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472    1.5980    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3485    1.7946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5788    2.5868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0079    3.1824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2067    2.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    2.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2382    3.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800    2.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194    1.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2771    0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5278    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 22 21  1  1  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  1  0  0  0
 23 26  1  1  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 17 29  1  6  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  6  0  0  0
 32 37  1  1  0  0  0
 31 38  1  6  0  0  0
  9 39  1  6  0  0  0
  7 40  1  6  0  0  0
  4 40  1  6  0  0  0
  5 41  1  6  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0140912

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]22CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]2CC[C@H]4[C@]1(C)[C@H]3O

> <INCHI_IDENTIFIER>
InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1

> <INCHI_KEY>
LAOCOVISLMUJNC-OBWXLDMWSA-N

> <FORMULA>
C36H58O9

> <MOLECULAR_WEIGHT>
634.851

> <EXACT_MASS>
634.408083448

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       6.541  -3.504   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.139  -2.085   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.715  -1.835   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.282  -0.329   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.487   1.268   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.008   1.958   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.809   0.782   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.203  -0.760   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.649  -0.698   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.583  -1.810   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.087  -1.443   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.658   0.036   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.592  -1.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.162   0.403   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.904  -0.709   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.399  -0.342   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.829   1.137   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.764   2.249   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.268   1.882   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.798   2.993   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.293   2.626   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.723   1.148   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.217   0.787   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.497   1.669   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.490   3.209   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.936   2.302   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.837   3.353   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.449   3.756   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.325   1.504   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -4.755   2.983   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.250   3.350   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.680   4.829   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.615   5.940   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.119   5.573   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -3.689   4.095   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -6.045   7.419   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -8.176   5.196   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -7.316   2.238   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       5.225  -2.126   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       7.984   0.171   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      10.836   2.011   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      11.579   0.662   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.093   3.360   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      12.185   2.753   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      12.217   4.293   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   40                                                  
CONECT    5    4    6   41                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   24   40                                             
CONECT    8    7    2    9                                                  
CONECT    9    8   10   23   39                                             
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   22                                             
CONECT   13   12   14                                                       
CONECT   14   13   12   15   19                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19   27   28                                             
CONECT   19   18   14   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   12   23                                                  
CONECT   23   22    9   24   26                                             
CONECT   24   23    7   25                                                  
CONECT   25   24                                                            
CONECT   26   23                                                            
CONECT   27   18                                                            
CONECT   28   18                                                            
CONECT   29   17   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32   38                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34   30                                                       
CONECT   36   33                                                            
CONECT   37   32                                                            
CONECT   38   31                                                            
CONECT   39    9                                                            
CONECT   40    7    4                                                       
CONECT   41    5   42   43   44                                             
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   41   45                                                       
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  104    0
END

View in JSmol

Synonyms

Value	Source
25-O-Methylcimigenol-3-O-b-D-xyloside	Generator
25-O-Methylcimigenol-3-O-β-D-xyloside	Generator

Chemical Formula

C₃₆H₅₈O₉

Average Mass

634.8510 Da

Monoisotopic Mass

634.40808 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]22CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]2CC[C@H]4[C@]1(C)[C@H]3O

InChI Identifier

InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1

InChI Key

LAOCOVISLMUJNC-OBWXLDMWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Actaea pachypoda	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Cucurbitacin glycosides

Alternative Parents

Substituents

Cucurbitacin glycoside skeleton
Cycloartanol-skeleton
9b,19-cyclo-lanostane-skeleton
Cycloartane-skeleton
Triterpenoid
15-hydroxysteroid
Hydroxysteroid
Glycosyl compound
O-glycosyl compound
Pentose monosaccharide
Ketal
Oxepane
Oxane
Monosaccharide
Meta-dioxolane
Cyclic alcohol
Secondary alcohol
Polyol
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Acetal
Hydrocarbon derivative
Organic oxygen compound
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

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

52083798

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

91827153

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 25-O-methylcimigenol-3-O-beta-D-xylopyranoside (NP0140912)

MOL for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

3D MOL for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

3D SDF for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

3D-SDF for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

PDB for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

3D PDB for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

SMILES for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

INCHI for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

Structure for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)

3D Structure for NP0140912 (25-O-methylcimigenol-3-O-beta-D-xylopyranoside)