NP-MRD: Showing NP-Card for Catharticin (NP0140691)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-06-29 21:47:08 UTC

Updated at

2022-06-29 21:47:08 UTC

NP-MRD ID

NP0140691

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Catharticin

Description

Alaternin, also known as 2-hydroxyemodin, belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Catharticin is found in Rhamnus disperma. Catharticin was first documented in 2016 (PMID: 28035984). Based on a literature review a small amount of articles have been published on Alaternin (PMID: 34684833) (PMID: 34421444) (PMID: 32280914) (PMID: 31592482).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292223472D          

 53 58  0  0  1  0            999 V2000
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  2  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  6  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  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  2  0  0  0  0
 32 36  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 26 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
 42 45  1  0  0  0  0
 21 46  1  1  0  0  0
 20 47  1  6  0  0  0
 19 48  1  6  0  0  0
 11 49  1  6  0  0  0
 10 50  1  1  0  0  0
  5 51  1  6  0  0  0
  4 52  1  6  0  0  0
  3 53  1  1  0  0  0
M  END

     RDKit          3D

 95100  0  0  0  0  0  0  0  0999 V2000
  -10.3146    4.8872    2.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9325    3.5327    2.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6973    3.1703    1.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8855    4.1383    1.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6294    3.8804    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8895    4.9130    0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2228    2.5598    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0193    2.2277   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2468    3.1065   -0.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6027    0.8664   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    0.6652   -0.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265    0.4425   -1.8589 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9742   -0.6433   -1.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238   -0.7051   -1.8380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1327   -1.3566   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -1.6653   -0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -1.0021   -0.3633 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0905   -1.4373   -1.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -2.8100   -1.2861 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6836   -3.5010   -2.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150   -3.0768   -0.2470 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9011   -4.0532    0.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4716   -1.7889    0.5397 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2071   -0.8398   -0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2868   -0.4429    0.6116 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2549    0.9042    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929    1.4473    1.1148 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2963    2.6128    2.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4941    0.5275    1.7571 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7351    1.1679    1.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6477   -0.7716    1.0109 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3024   -1.8060    1.8934 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -0.7194   -0.1194 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5796   -1.9063   -0.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.3193    0.8984 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1967   -0.1294    1.6035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    0.6336   -2.0437 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0023    1.3830   -0.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8094    1.4284   -3.0724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1259    2.6124   -3.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887    1.7197   -2.3148 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9276    2.3683   -3.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4801   -0.0428    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2537   -1.4545    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8345   -2.1530    1.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7449   -3.5073    1.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0656   -4.2238    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9616   -5.6149    0.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4991   -3.5630   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6082   -2.1814   -0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6484    0.3496    0.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0556    1.5818    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3006    1.8579    1.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6263    5.2789    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1868    5.0339    2.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4750    5.4872    2.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1669    5.1975    1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0472    5.0322   -0.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316    0.2368   -2.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327   -1.3601   -2.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359   -2.3499   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734   -0.7076    0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    0.0911   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747   -3.2442   -0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -4.5614   -2.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -3.4725   -2.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762   -3.0402   -3.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432   -3.4287   -0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150   -3.8287    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770   -1.9864    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3136   -0.9830    1.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9577    1.8801    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.2405    3.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706    3.2757    1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2407    3.1896    2.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2156    0.3824    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0700    1.3954    2.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6502   -0.9678    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7238   -2.4955    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8752    0.1002   -0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   -1.7975   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -2.1208    1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    0.6567    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.5943   -2.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489    1.2335   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711    0.8569   -3.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722    2.8794   -4.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613    2.4177   -1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7751    3.3633   -3.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3753   -1.6307    2.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1781   -4.0780    2.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489   -6.2272    0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9666   -4.1203   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888   -1.7497   -1.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8991    1.0576    1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 23 35  1  0
 35 36  1  0
 14 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 10 43  2  0
 43 51  1  0
 51 52  1  0
 52 53  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 47 49  1  0
 49 50  2  0
 53  3  1  0
 50 44  1  0
 52  7  1  0
 41 12  1  0
 35 17  1  0
 33 25  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  4 57  1  0
  6 58  1  0
 12 59  1  6
 14 60  1  6
 15 61  1  0
 15 62  1  0
 17 63  1  6
 19 64  1  1
 20 65  1  0
 20 66  1  0
 20 67  1  0
 21 68  1  6
 22 69  1  0
 23 70  1  1
 25 71  1  1
 27 72  1  6
 28 73  1  0
 28 74  1  0
 28 75  1  0
 29 76  1  1
 30 77  1  0
 31 78  1  6
 32 79  1  0
 33 80  1  6
 34 81  1  0
 35 82  1  1
 36 83  1  0
 37 84  1  6
 38 85  1  0
 39 86  1  6
 40 87  1  0
 41 88  1  1
 42 89  1  0
 53 95  1  0
 45 90  1  0
 46 91  1  0
 48 92  1  0
 49 93  1  0
 50 94  1  0
M  END


  Mrv1652306292223472D          

 53 58  0  0  1  0            999 V2000
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  2  7  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  6  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  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  2  0  0  0  0
 32 36  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 26 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
 42 45  1  0  0  0  0
 21 46  1  1  0  0  0
 20 47  1  6  0  0  0
 19 48  1  6  0  0  0
 11 49  1  6  0  0  0
 10 50  1  1  0  0  0
  5 51  1  6  0  0  0
  4 52  1  6  0  0  0
  3 53  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0140691

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)=C(OC2=C1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1

> <INCHI_KEY>
MQMTVWHXCSRCER-BZPRNGGBSA-N

> <FORMULA>
C34H42O19

> <MOLECULAR_WEIGHT>
754.691

> <EXACT_MASS>
754.232029132

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
72.68913594661272

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
0.00

> <JCHEM_LOGP>
-1.143227276333333

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.558635442035149

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.133133284863382

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648686043791301

> <JCHEM_POLAR_SURFACE_AREA>
293.21

> <JCHEM_REFRACTIVITY>
173.51610000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

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      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4   53                                                  
CONECT    4    3    5   52                                                  
CONECT    5    4    6   51                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   50                                                  
CONECT   11   10   12   49                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   48                                                  
CONECT   20   19   21   47                                                  
CONECT   21   20   22   46                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   18                                                       
CONECT   24   22   25                                                       
CONECT   25   24   26   34                                                  
CONECT   26   25   27   39                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   28   34                                                  
CONECT   34   33   25   35                                                  
CONECT   35   34                                                            
CONECT   36   32                                                            
CONECT   37   30   38                                                       
CONECT   38   37                                                            
CONECT   39   26   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43   39                                                       
CONECT   45   42                                                            
CONECT   46   21                                                            
CONECT   47   20                                                            
CONECT   48   19                                                            
CONECT   49   11                                                            
CONECT   50   10                                                            
CONECT   51    5                                                            
CONECT   52    4                                                            
CONECT   53    3                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  116    0
END

View in JSmol

Synonyms

Value	Source
1,2,3,8-Tetrahydroxy-6-methylanthraquinone	MeSH
2-Hydroxyemodin	MeSH

Chemical Formula

C₃₄H₄₂O₁₉

Average Mass

754.6910 Da

Monoisotopic Mass

754.23203 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)=C(OC2=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1

InChI Key

MQMTVWHXCSRCER-BZPRNGGBSA-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
Rhamnus disperma	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Oligosaccharide
Flavonoid-3-o-glycoside
7-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavone
4'-hydroxyflavonoid
5-hydroxyflavonoid
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Anisole
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00054245

Chemspider ID

4678053

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5748627

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ali MY, Park S, Chang M: Phytochemistry, Ethnopharmacological Uses, Biological Activities, and Therapeutic Applications of Cassia obtusifolia L.: A Comprehensive Review. Molecules. 2021 Oct 15;26(20). pii: molecules26206252. doi: 10.3390/molecules26206252. [PubMed:34684833 ]
Dirir AM, Daou M, Yousef AF, Yousef LF: A review of alpha-glucosidase inhibitors from plants as potential candidates for the treatment of type-2 diabetes. Phytochem Rev. 2022;21(4):1049-1079. doi: 10.1007/s11101-021-09773-1. Epub 2021 Aug 16. [PubMed:34421444 ]
Paudel P, Seong SH, Fauzi FM, Bender A, Jung HA, Choi JS: Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using In Silico and In Vitro Methods. ACS Omega. 2020 Mar 25;5(13):7705-7715. doi: 10.1021/acsomega.0c00684. eCollection 2020 Apr 7. [PubMed:32280914 ]
Paudel P, Seong SH, Shrestha S, Jung HA, Choi JS: In Vitro and in Silico Human Monoamine Oxidase Inhibitory Potential of Anthraquinones, Naphthopyrones, and Naphthalenic Lactones from Cassia obtusifolia Linn Seeds. ACS Omega. 2019 Sep 18;4(14):16139-16152. doi: 10.1021/acsomega.9b02328. eCollection 2019 Oct 1. [PubMed:31592482 ]
Jung HA, Ali MY, Choi JS: Promising Inhibitory Effects of Anthraquinones, Naphthopyrone, and Naphthalene Glycosides, from Cassia obtusifolia on alpha-Glucosidase and Human Protein Tyrosine Phosphatases 1B. Molecules. 2016 Dec 27;22(1). pii: molecules22010028. doi: 10.3390/molecules22010028. [PubMed:28035984 ]

Showing NP-Card for Catharticin (NP0140691)

MOL for NP0140691 (Catharticin)

3D MOL for NP0140691 (Catharticin)

3D SDF for NP0140691 (Catharticin)

3D-SDF for NP0140691 (Catharticin)

PDB for NP0140691 (Catharticin)

3D PDB for NP0140691 (Catharticin)

SMILES for NP0140691 (Catharticin)

INCHI for NP0140691 (Catharticin)

Structure for NP0140691 (Catharticin)

3D Structure for NP0140691 (Catharticin)