NP-MRD: Showing NP-Card for (3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione (NP0314724)

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Record Information

Version

2.0

Created at

2022-09-11 12:58:31 UTC

Updated at

2022-09-11 12:58:31 UTC

NP-MRD ID

NP0314724

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione

Description

TYTBBVIHCPHNMB-SULDOPRKSA- belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. (3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione is found in Ulva intestinalis. Based on a literature review very few articles have been published on TYTBBVIHCPHNMB-SULDOPRKSA-.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112214582D          

 38 42  0  0  1  0            999 V2000
    2.7107   -0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -0.2646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4977    0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2857    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.3681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2723    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9171   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -0.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722   -0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3471   -1.7665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8412   -2.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5222   -1.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326   -1.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337   -2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9251   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684   -0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -1.0691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7950   -1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142   -1.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346   -2.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154   -2.3785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4128   -3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   -3.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567   -3.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8394   -4.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306   -5.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9703   -5.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892   -6.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -5.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290   -4.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100   -4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -1.6295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6814   -1.3854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0760   -1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  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
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 27 35  1  0  0  0  0
 30 35  1  0  0  0  0
 36 25  1  6  0  0  0
 21 36  1  0  0  0  0
 36 37  1  0  0  0  0
  2 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END


  Mrv1652309112214582D          

 38 42  0  0  1  0            999 V2000
    2.7107   -0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -0.2646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4977    0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2857    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.3681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2723    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9171   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912   -0.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722   -0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3471   -1.7665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8412   -2.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5222   -1.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326   -1.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337   -2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9251   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684   -0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -1.0691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7950   -1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142   -1.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346   -2.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154   -2.3785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4128   -3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   -3.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567   -3.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8394   -4.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306   -5.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9703   -5.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892   -6.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -5.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290   -4.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100   -4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -1.6295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6814   -1.3854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0760   -1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  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
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 27 35  1  0  0  0  0
 30 35  1  0  0  0  0
 36 25  1  6  0  0  0
 21 36  1  0  0  0  0
 36 37  1  0  0  0  0
  2 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0314724

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)CCC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

> <INCHI_KEY>
TYTBBVIHCPHNMB-SULDOPRKSA-N

> <FORMULA>
C32H38N2O4

> <MOLECULAR_WEIGHT>
514.666

> <EXACT_MASS>
514.283157712

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
56.85219661232016

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4S,6aS,10S,13R,17aR,17bR)-1,13-dihydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-3H,4H,6aH,9H,10H,13H,14H,15H,16H,17H,17bH-cyclotrideca[e]isoindole-14,17-dione

> <JCHEM_LOGP>
5.538790445333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.827071040227768

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.550588434850317

> <JCHEM_PKA_STRONGEST_BASIC>
2.8718344714604433

> <JCHEM_POLAR_SURFACE_AREA>
102.75

> <JCHEM_REFRACTIVITY>
151.69000000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4S,6aS,10S,13R,17aR,17bR)-1,13-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3H,4H,6aH,9H,10H,13H,15H,16H,17bH-cyclotrideca[e]isoindole-14,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       5.060  -0.629   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.531  -1.084   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.661  -0.038   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.132  -0.494   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.262   0.552   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.733   0.097   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.863   1.143   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.335   0.687   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.442   1.758   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.779  -0.938   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.037  -1.826   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.495  -1.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.581  -3.297   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      16.504  -4.531   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      14.041  -3.319   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.501  -1.877   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.756  -4.409   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.285  -3.953   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.060  -2.267   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.074  -1.405   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.473  -1.996   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.817  -2.747   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.347  -2.565   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      10.518  -4.258   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       8.989  -4.440   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.237  -5.784   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.026  -7.107   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.559  -7.247   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      10.900  -8.749   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       9.577  -9.537   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.278 -11.048   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.820 -11.544   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.661 -10.529   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.961  -9.018   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.419  -8.522   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.343  -3.042   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.872  -2.586   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.742  -3.632   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   37                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    4   22   36                                             
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   36                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   27   30                                                  
CONECT   36   25   21   37                                                  
CONECT   37   36    2   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₈N₂O₄

Average Mass

514.6660 Da

Monoisotopic Mass

514.28316 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)CCC2=O

InChI Identifier

InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

InChI Key

TYTBBVIHCPHNMB-SULDOPRKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ulva intestinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Sub Class

Isoindolines

Direct Parent

Isoindolones

Alternative Parents

Substituents

Isoindolone
3-alkylindole
Indole
Indole or derivatives
Isoindole
Pyrrolidone
2-pyrrolidone
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrolidine
Pyrrole
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Cyclic ketone
Ketone
Lactam
Azacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Alcohol
Carbonyl group
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

Not Available

Chemspider ID

8657009

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10481602

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione (NP0314724)

MOL for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

3D MOL for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

3D SDF for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

3D-SDF for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

PDB for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

3D PDB for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

SMILES for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

INCHI for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

Structure for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)

3D Structure for NP0314724 ((3s,3ar,4s,6as,10s,13r,17ar)-1,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione)