NP-MRD: Showing NP-Card for artonin K (NP0039443)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-06-20 21:52:25 UTC

Updated at

2021-06-30 00:12:47 UTC

NP-MRD ID

NP0039443

Secondary Accession Numbers

None

Natural Product Identification

Common Name

artonin K

Provided By

JEOL Database JEOL Logo

Description

artonin K is found in Artocarpus altilis, Artocarpus integer and Artocarpus rigida. artonin K was first documented in 2010 (Ren, Y., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202123523D          

 46 50  0  0  0  0            999 V2000
    1.2826   -0.9010    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.4917    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.6816    3.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.6693    3.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.3783    2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.6990    2.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.7455    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    1.4652    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.6506    0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.7004   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -0.6044   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.2896    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6006    1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.3124    2.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.4052   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -2.7988   -2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.6469   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -3.4075   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.6261   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -3.2206   -5.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2581   -4.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695   -0.6825   -3.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.7939   -3.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.4266   -2.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4448    0.9275   -4.8064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.1579   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.0380   -5.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.3394   -5.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.0944    6.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -0.5469    6.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -1.6739    6.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.1996    4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    3.0747    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.3646    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.1102   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -4.4906   -3.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.4955   -6.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    1.0851   -3.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    1.3831   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4859   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.3685   -4.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.1300   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    2.1249   -4.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0920   -6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    3.0142   -5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8387   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 24  1  0  0  0  0
 15 22  2  0  0  0  0
 24 23  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 21 19  2  0  0  0  0
 11 12  1  0  0  0  0
 19 18  1  0  0  0  0
 11 10  2  0  0  0  0
 18 16  2  0  0  0  0
 16 15  1  0  0  0  0
  7 13  2  0  0  0  0
  3  2  1  0  0  0  0
  8  9  2  0  0  0  0
 13 14  1  0  0  0  0
  5  6  1  0  0  0  0
 13 12  1  0  0  0  0
 23 25  1  0  0  0  0
 14  3  2  0  0  0  0
 25 26  1  1  0  0  0
  7  8  1  0  0  0  0
 25 27  1  0  0  0  0
  3  4  1  0  0  0  0
 19 20  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  2  0  0  0  0
 21 28  1  0  0  0  0
  5  7  1  0  0  0  0
 23 38  1  6  0  0  0
 28 25  1  0  0  0  0
 11 15  1  0  0  0  0
  2  1  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 14 34  1  0  0  0  0
  4 32  1  0  0  0  0
 18 36  1  0  0  0  0
  6 33  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 20 37  1  0  0  0  0
 17 35  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
M  END

     RDKit          3D

 46 50  0  0  0  0  0  0  0  0999 V2000
    1.2826   -0.9010    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.4917    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.6816    3.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.6693    3.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.3783    2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.6990    2.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.7455    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    1.4652    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.6506    0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.7004   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -0.6044   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.2896    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6006    1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.3124    2.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.4052   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -2.7988   -2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.6469   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -3.4075   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.6261   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -3.2206   -5.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2581   -4.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695   -0.6825   -3.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.7939   -3.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.4266   -2.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    0.9275   -4.8064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.1579   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.0380   -5.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.3394   -5.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.0944    6.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -0.5469    6.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -1.6739    6.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.1996    4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    3.0747    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.3646    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.1102   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -4.4906   -3.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.4955   -6.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    1.0851   -3.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    1.3831   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4859   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.3685   -4.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.1300   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    2.1249   -4.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0920   -6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    3.0142   -5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8387   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 24  1  0
 15 22  2  0
 24 23  1  0
 22 21  1  0
 23 22  1  0
 21 19  2  0
 11 12  1  0
 19 18  1  0
 11 10  2  0
 18 16  2  0
 16 15  1  0
  7 13  2  0
  3  2  1  0
  8  9  2  0
 13 14  1  0
  5  6  1  0
 13 12  1  0
 23 25  1  0
 14  3  2  0
 25 26  1  1
  7  8  1  0
 25 27  1  0
  3  4  1  0
 19 20  1  0
  8 10  1  0
 16 17  1  0
  4  5  2  0
 21 28  1  0
  5  7  1  0
 23 38  1  6
 28 25  1  0
 11 15  1  0
  2  1  1  0
 24 39  1  0
 24 40  1  0
 14 34  1  0
  4 32  1  0
 18 36  1  0
  6 33  1  0
 26 41  1  0
 26 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 27 46  1  0
 20 37  1  0
 17 35  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
M  END


  Mrv1652306202123523D          

 46 50  0  0  0  0            999 V2000
    1.2826   -0.9010    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.4917    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.6816    3.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.6693    3.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.3783    2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.6990    2.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.7455    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    1.4652    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.6506    0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.7004   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -0.6044   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.2896    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6006    1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.3124    2.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.4052   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -2.7988   -2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.6469   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -3.4075   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.6261   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -3.2206   -5.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2581   -4.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695   -0.6825   -3.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.7939   -3.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.4266   -2.1697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4448    0.9275   -4.8064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.1579   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.0380   -5.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.3394   -5.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.0944    6.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -0.5469    6.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -1.6739    6.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.1996    4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    3.0747    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.3646    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.1102   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -4.4906   -3.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.4955   -6.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    1.0851   -3.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    1.3831   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4859   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.3685   -4.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.1300   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    2.1249   -4.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0920   -6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    3.0142   -5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8387   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 24  1  0  0  0  0
 15 22  2  0  0  0  0
 24 23  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 21 19  2  0  0  0  0
 11 12  1  0  0  0  0
 19 18  1  0  0  0  0
 11 10  2  0  0  0  0
 18 16  2  0  0  0  0
 16 15  1  0  0  0  0
  7 13  2  0  0  0  0
  3  2  1  0  0  0  0
  8  9  2  0  0  0  0
 13 14  1  0  0  0  0
  5  6  1  0  0  0  0
 13 12  1  0  0  0  0
 23 25  1  0  0  0  0
 14  3  2  0  0  0  0
 25 26  1  1  0  0  0
  7  8  1  0  0  0  0
 25 27  1  0  0  0  0
  3  4  1  0  0  0  0
 19 20  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  2  0  0  0  0
 21 28  1  0  0  0  0
  5  7  1  0  0  0  0
 23 38  1  6  0  0  0
 28 25  1  0  0  0  0
 11 15  1  0  0  0  0
  2  1  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 14 34  1  0  0  0  0
  4 32  1  0  0  0  0
 18 36  1  0  0  0  0
  6 33  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 20 37  1  0  0  0  0
 17 35  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0039443

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2OC(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C2=C(C(O[H])=C1[H])C1=C(C(=O)C2=C(O1)C([H])=C(OC([H])([H])[H])C([H])=C2O[H])C3([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3/t10-/m0/s1

> <INCHI_KEY>
NMKFZSNRHNHWLX-JTQLQIEISA-N

> <FORMULA>
C21H18O7

> <MOLECULAR_WEIGHT>
382.368

> <EXACT_MASS>
382.10525292

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
39.58829288039528

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(13S)-8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(20),2(11),4(9),5,7,16,18-heptaen-10-one

> <ALOGPS_LOGP>
3.72

> <JCHEM_LOGP>
2.980615549666667

> <ALOGPS_LOGS>
-3.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.643633433497723

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.318455022063385

> <JCHEM_PKA_STRONGEST_BASIC>
-4.5312236833007065

> <JCHEM_POLAR_SURFACE_AREA>
105.45000000000002

> <JCHEM_REFRACTIVITY>
100.63240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.99e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(13S)-8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(20),2(11),4(9),5,7,16,18-heptaen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 46 50  0  0  0  0  0  0  0  0999 V2000
    1.2826   -0.9010    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.4917    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.6816    3.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.6693    3.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.3783    2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.6990    2.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.7455    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    1.4652    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.6506    0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.7004   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -0.6044   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.2896    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6006    1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.3124    2.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.4052   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -2.7988   -2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.6469   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -3.4075   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.6261   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -3.2206   -5.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2581   -4.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695   -0.6825   -3.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.7939   -3.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.4266   -2.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    0.9275   -4.8064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.1579   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.0380   -5.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.3394   -5.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.0944    6.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -0.5469    6.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -1.6739    6.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.1996    4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    3.0747    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.3646    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.1102   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -4.4906   -3.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.4955   -6.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    1.0851   -3.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    1.3831   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4859   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.3685   -4.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.1300   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    2.1249   -4.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0920   -6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    3.0142   -5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8387   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 24  1  0
 15 22  2  0
 24 23  1  0
 22 21  1  0
 23 22  1  0
 21 19  2  0
 11 12  1  0
 19 18  1  0
 11 10  2  0
 18 16  2  0
 16 15  1  0
  7 13  2  0
  3  2  1  0
  8  9  2  0
 13 14  1  0
  5  6  1  0
 13 12  1  0
 23 25  1  0
 14  3  2  0
 25 26  1  1
  7  8  1  0
 25 27  1  0
  3  4  1  0
 19 20  1  0
  8 10  1  0
 16 17  1  0
  4  5  2  0
 21 28  1  0
  5  7  1  0
 23 38  1  6
 28 25  1  0
 11 15  1  0
  2  1  1  0
 24 39  1  0
 24 40  1  0
 14 34  1  0
  4 32  1  0
 18 36  1  0
  6 33  1  0
 26 41  1  0
 26 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 27 46  1  0
 20 37  1  0
 17 35  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       1.283  -0.901   6.030  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.124  -1.492   4.745  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.663  -0.682   3.745  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.333   0.669   3.869  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.128   1.378   2.760  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.431   2.699   2.959  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.263   0.746   1.521  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.745   1.465   0.334  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.052   2.651   0.407  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.839   0.700  -0.927  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.485  -0.604  -0.903  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.047  -1.290   0.214  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.063  -0.601   1.395  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.525  -1.312   2.503  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.594  -1.405  -2.140  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.575  -2.799  -2.281  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.403  -3.647  -1.222  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.752  -3.408  -3.541  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.965  -2.626  -4.677  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.163  -3.221  -5.883  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.983  -1.258  -4.542  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.770  -0.683  -3.311  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.741   0.794  -3.431  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.329   1.427  -2.170  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.445   0.928  -4.806  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.961   1.158  -4.739  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.798   2.038  -5.639  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.223  -0.339  -5.531  0.00  0.00           O+0
HETATM   29  H   UNK     0       2.023  -0.094   6.005  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.324  -0.547   6.422  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.655  -1.674   6.709  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.424   1.200   4.812  0.00  0.00           H+0
HETATM   33  H   UNK     0      -0.747   3.075   2.106  0.00  0.00           H+0
HETATM   34  H   UNK     0       0.783  -2.365   2.408  0.00  0.00           H+0
HETATM   35  H   UNK     0      -0.261  -3.110  -0.423  0.00  0.00           H+0
HETATM   36  H   UNK     0      -0.738  -4.491  -3.625  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.289  -2.495  -6.524  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.316   1.085  -3.519  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.424   1.383  -2.159  0.00  0.00           H+0
HETATM   40  H   UNK     0      -1.049   2.486  -2.150  0.00  0.00           H+0
HETATM   41  H   UNK     0      -3.461   0.369  -4.168  0.00  0.00           H+0
HETATM   42  H   UNK     0      -3.399   1.130  -5.744  0.00  0.00           H+0
HETATM   43  H   UNK     0      -3.204   2.125  -4.288  0.00  0.00           H+0
HETATM   44  H   UNK     0      -1.249   2.092  -6.636  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.903   3.014  -5.154  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.268   1.839  -5.796  0.00  0.00           H+0
CONECT    1    2   29   30   31                                             
CONECT    2    3    1                                                       
CONECT    3    2   14    4                                                  
CONECT    4    3    5   32                                                  
CONECT    5    6    4    7                                                  
CONECT    6    5   33                                                       
CONECT    7   13    8    5                                                  
CONECT    8    9    7   10                                                  
CONECT    9    8                                                            
CONECT   10   24   11    8                                                  
CONECT   11   12   10   15                                                  
CONECT   12   11   13                                                       
CONECT   13    7   14   12                                                  
CONECT   14   13    3   34                                                  
CONECT   15   22   16   11                                                  
CONECT   16   18   15   17                                                  
CONECT   17   16   35                                                       
CONECT   18   19   16   36                                                  
CONECT   19   21   18   20                                                  
CONECT   20   19   37                                                       
CONECT   21   22   19   28                                                  
CONECT   22   15   21   23                                                  
CONECT   23   24   22   25   38                                             
CONECT   24   10   23   39   40                                             
CONECT   25   23   26   27   28                                             
CONECT   26   25   41   42   43                                             
CONECT   27   25   44   45   46                                             
CONECT   28   21   25                                                       
CONECT   29    1                                                            
CONECT   30    1                                                            
CONECT   31    1                                                            
CONECT   32    4                                                            
CONECT   33    6                                                            
CONECT   34   14                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   20                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   24                                                            
CONECT   41   26                                                            
CONECT   42   26                                                            
CONECT   43   26                                                            
CONECT   44   27                                                            
CONECT   45   27                                                            
CONECT   46   27                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

RDKit          3D

46 50  0  0  0  0  0  0  0  0999 V2000
    1.2826   -0.9010    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240   -1.4917    4.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.6816    3.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.6693    3.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    1.3783    2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.6990    2.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.7455    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    1.4652    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.6506    0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.7004   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -0.6044   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.2896    0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6006    1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253   -1.3124    2.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -1.4052   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -2.7988   -2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.6469   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -3.4075   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.6261   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -3.2206   -5.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2581   -4.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7695   -0.6825   -3.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.7939   -3.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.4266   -2.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    0.9275   -4.8064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.1579   -4.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    2.0380   -5.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -0.3394   -5.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.0944    6.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -0.5469    6.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -1.6739    6.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.1996    4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466    3.0747    2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.3646    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -3.1102   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -4.4906   -3.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -2.4955   -6.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    1.0851   -3.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    1.3831   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4859   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    0.3685   -4.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    1.1300   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    2.1249   -4.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.0920   -6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    3.0142   -5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8387   -5.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 24  1  0
 15 22  2  0
 24 23  1  0
 22 21  1  0
 23 22  1  0
 21 19  2  0
 11 12  1  0
 19 18  1  0
 11 10  2  0
 18 16  2  0
 16 15  1  0
  7 13  2  0
  3  2  1  0
  8  9  2  0
 13 14  1  0
  5  6  1  0
 13 12  1  0
 23 25  1  0
 14  3  2  0
 25 26  1  1
  7  8  1  0
 25 27  1  0
  3  4  1  0
 19 20  1  0
  8 10  1  0
 16 17  1  0
  4  5  2  0
 21 28  1  0
  5  7  1  0
 23 38  1  6
 28 25  1  0
 11 15  1  0
  2  1  1  0
 24 39  1  0
 24 40  1  0
 14 34  1  0
  4 32  1  0
 18 36  1  0
  6 33  1  0
 26 41  1  0
 26 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 27 46  1  0
 20 37  1  0
 17 35  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₁₈O₇

Average Mass

382.3680 Da

Monoisotopic Mass

382.10525 Da

IUPAC Name

(13S)-8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(20),2(11),4(9),5,7,16,18-heptaen-10-one

Traditional Name

(13S)-8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(20),2(11),4(9),5,7,16,18-heptaen-10-one

CAS Registry Number

Not Available

SMILES

[H]OC1=C2OC(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C2=C(C(O[H])=C1[H])C1=C(C(=O)C2=C(O1)C([H])=C(OC([H])([H])[H])C([H])=C2O[H])C3([H])[H]

InChI Identifier

InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3/t10-/m0/s1

InChI Key

NMKFZSNRHNHWLX-JTQLQIEISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Artocarpus altilis	LOTUS Database	35616633
Artocarpus champeden	LOTUS Database	35616633
Artocarpus heterophyllus	FooDB	KNAPSACK
Artocarpus rigida	JEOL database	Ren, Y., et al, J. Nat. Prod. 73, 949 (2010)

Chemical Taxonomy

Classification

Not classified

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	3.72	ALOGPS
logP	2.98	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	7.32	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	100.63 m³·mol⁻¹	ChemAxon
Polarizability	39.59 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Ren, Y., et al. (2010). Ren, Y., et al, J. Nat. Prod. 73, 949 (2010). J. Nat. Prod..

Showing NP-Card for artonin K (NP0039443)

MOL for NP0039443 (artonin K)

3D MOL for NP0039443 (artonin K)

3D SDF for NP0039443 (artonin K)

3D-SDF for NP0039443 (artonin K)

PDB for NP0039443 (artonin K)

3D PDB for NP0039443 (artonin K)

SMILES for NP0039443 (artonin K)

INCHI for NP0039443 (artonin K)

Structure for NP0039443 (artonin K)

3D Structure for NP0039443 (artonin K)