data_A1AG8
# 
_chem_comp.id                                    A1AG8 
_chem_comp.name                                  silvestrol 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H38 O13" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-03-05 
_chem_comp.pdbx_modified_date                    2024-10-18 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        654.658 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AG8 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9AVR 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
A1AG8 C01  C1  C 0 1 N N N N N N 4.540  -10.222 14.570 8.291  1.914  1.155  C01  A1AG8 1  
A1AG8 C03  C2  C 0 1 N N R N N N 5.018  -8.195  15.661 5.951  1.416  1.302  C03  A1AG8 2  
A1AG8 C04  C3  C 0 1 N N S N N N 5.474  -7.563  17.023 4.698  1.212  0.444  C04  A1AG8 3  
A1AG8 C06  C4  C 0 1 N N R N N N 7.582  -7.115  16.138 5.040  -1.157 0.510  C06  A1AG8 4  
A1AG8 C07  C5  C 0 1 N N N N N N 7.200  -7.914  14.888 6.292  -0.953 1.367  C07  A1AG8 5  
A1AG8 C14  C6  C 0 1 Y N N N N N 5.422  -5.277  17.697 2.338  1.047  0.679  C14  A1AG8 6  
A1AG8 C15  C7  C 0 1 Y N N N N N 5.258  -3.986  17.264 1.186  0.966  1.442  C15  A1AG8 7  
A1AG8 C16  C8  C 0 1 Y N N N N N 5.710  -2.956  18.093 -0.060 0.886  0.826  C16  A1AG8 8  
A1AG8 C17  C9  C 0 1 Y N N N N N 6.327  -3.159  19.290 -0.126 0.883  -0.561 C17  A1AG8 9  
A1AG8 C18  C10 C 0 1 Y N N N N N 6.528  -4.449  19.737 1.023  0.967  -1.325 C18  A1AG8 10 
A1AG8 C19  C11 C 0 1 Y N N N N N 6.046  -5.531  18.901 2.262  1.055  -0.706 C19  A1AG8 11 
A1AG8 C21  C12 C 0 1 N N N N N N 7.380  -6.123  21.291 2.167  1.059  -3.407 C21  A1AG8 12 
A1AG8 C22  C13 C 0 1 N N S N N N 6.723  -1.842  19.931 -1.592 0.768  -0.938 C22  A1AG8 13 
A1AG8 C23  C14 C 0 1 N N R N N N 6.250  -1.614  21.208 -2.160 2.183  -1.153 C23  A1AG8 14 
A1AG8 C24  C15 C 0 1 N N R N N N 5.536  -0.029  21.034 -3.533 2.202  -0.465 C24  A1AG8 15 
A1AG8 C25  C16 C 0 1 N N S N N N 4.885  -0.129  19.950 -3.567 1.019  0.512  C25  A1AG8 16 
A1AG8 C26  C17 C 0 1 N N R N N N 6.103  -0.751  18.993 -2.220 0.293  0.402  C26  A1AG8 17 
A1AG8 C28  C18 C 0 1 Y N N N N N 6.977  0.289   18.367 -2.370 -1.205 0.471  C28  A1AG8 18 
A1AG8 C29  C19 C 0 1 Y N N N N N 7.998  1.046   19.053 -1.653 -2.011 -0.394 C29  A1AG8 19 
A1AG8 C30  C20 C 0 1 Y N N N N N 8.760  1.990   18.325 -1.788 -3.384 -0.333 C30  A1AG8 20 
A1AG8 C31  C21 C 0 1 Y N N N N N 8.508  2.205   16.984 -2.644 -3.955 0.599  C31  A1AG8 21 
A1AG8 C32  C22 C 0 1 Y N N N N N 7.486  1.465   16.306 -3.362 -3.144 1.466  C32  A1AG8 22 
A1AG8 C33  C23 C 0 1 Y N N N N N 6.756  0.520   17.018 -3.220 -1.771 1.403  C33  A1AG8 23 
A1AG8 C35  C24 C 0 1 N N N N N N 10.144 3.855   16.998 -3.678 -5.823 1.644  C35  A1AG8 24 
A1AG8 C36  C25 C 0 1 Y N N N N N 4.288  1.124   19.186 -4.688 0.083  0.144  C36  A1AG8 25 
A1AG8 C37  C26 C 0 1 Y N N N N N 3.432  0.906   18.101 -4.709 -0.514 -1.103 C37  A1AG8 26 
A1AG8 C38  C27 C 0 1 Y N N N N N 2.867  1.965   17.511 -5.738 -1.372 -1.442 C38  A1AG8 27 
A1AG8 C39  C28 C 0 1 Y N N N N N 3.126  3.235   17.980 -6.746 -1.635 -0.533 C39  A1AG8 28 
A1AG8 C40  C29 C 0 1 Y N N N N N 3.978  3.438   19.088 -6.726 -1.039 0.714  C40  A1AG8 29 
A1AG8 C41  C30 C 0 1 Y N N N N N 4.541  2.386   19.696 -5.693 -0.185 1.054  C41  A1AG8 30 
A1AG8 C42  C31 C 0 1 N N N N N N 4.528  0.118   22.210 -3.713 3.497  0.285  C42  A1AG8 31 
A1AG8 C45  C32 C 0 1 N N N N N N 4.153  0.248   24.576 -3.880 5.871  0.408  C45  A1AG8 32 
A1AG8 O02  O1  O 0 1 N N N N N N 4.987  -9.586  15.743 7.084  1.609  0.453  O02  A1AG8 33 
A1AG8 O05  O2  O 0 1 N N N N N N 6.833  -7.632  17.214 4.835  0.001  -0.305 O05  A1AG8 34 
A1AG8 O08  O3  O 0 1 N N N N N N 5.822  -7.795  14.578 6.156  0.258  2.117  O08  A1AG8 35 
A1AG8 O13  O4  O 0 1 N N N N N N 4.968  -6.246  16.816 3.550  1.125  1.290  O13  A1AG8 36 
A1AG8 O20  O5  O 0 1 N N N N N N 7.151  -4.708  21.020 0.939  0.970  -2.682 O20  A1AG8 37 
A1AG8 O27  O6  O 0 1 N N N N N N 5.576  -1.474  17.810 -1.303 0.808  1.378  O27  A1AG8 38 
A1AG8 O34  O7  O 0 1 N N N N N N 9.238  3.144   16.217 -2.779 -5.306 0.661  O34  A1AG8 39 
A1AG8 O43  O8  O 0 1 N N N N N N 3.309  0.117   22.044 -3.869 3.484  1.483  O43  A1AG8 40 
A1AG8 O44  O9  O 0 1 N N N N N N 5.076  0.208   23.520 -3.701 4.664  -0.378 O44  A1AG8 41 
A1AG8 O46  O10 O 0 1 N N N N N N 5.233  -2.303  21.800 -1.297 3.155  -0.558 O46  A1AG8 42 
A1AG8 O47  O11 O 0 1 N N N N N N 8.135  -1.751  19.946 -1.829 -0.123 -2.029 O47  A1AG8 43 
A1AG8 C09  C33 C 0 1 N N R N N N 9.023  -7.402  16.464 5.225  -2.385 -0.383 C09  A1AG8 44 
A1AG8 C10  C34 C 0 1 N N N N N N 9.968  -6.472  15.680 4.030  -2.511 -1.331 C10  A1AG8 45 
A1AG8 O11  O12 O 0 1 N N N N N N 9.464  -5.074  15.821 4.145  -3.720 -2.084 O11  A1AG8 46 
A1AG8 O12  O13 O 0 1 N N N N N N 9.170  -7.226  17.835 6.425  -2.243 -1.146 O12  A1AG8 47 
A1AG8 H012 H1  H 0 0 N N N N N N 4.546  -11.312 14.718 9.103  2.046  0.441  H012 A1AG8 48 
A1AG8 H013 H2  H 0 0 N N N N N N 3.517  -9.889  14.339 8.156  2.833  1.726  H013 A1AG8 49 
A1AG8 H011 H3  H 0 0 N N N N N N 5.207  -9.962  13.735 8.533  1.097  1.834  H011 A1AG8 50 
A1AG8 H031 H4  H 0 0 N N N N N N 3.994  -7.835  15.481 5.819  2.291  1.938  H031 A1AG8 51 
A1AG8 H041 H5  H 0 0 N N N N N N 4.930  -8.061  17.839 4.584  2.053  -0.240 H041 A1AG8 52 
A1AG8 H061 H6  H 0 0 N N N N N N 7.415  -6.039  15.981 4.175  -1.304 1.157  H061 A1AG8 53 
A1AG8 H071 H7  H 0 0 N N N N N N 7.434  -8.975  15.060 6.406  -1.794 2.052  H071 A1AG8 54 
A1AG8 H072 H8  H 0 0 N N N N N N 7.788  -7.542  14.036 7.168  -0.886 0.722  H072 A1AG8 55 
A1AG8 H151 H9  H 0 0 N N N N N N 4.794  -3.772  16.312 1.253  0.965  2.520  H151 A1AG8 56 
A1AG8 H191 H10 H 0 0 N N N N N N 6.178  -6.552  19.226 3.161  1.125  -1.299 H191 A1AG8 57 
A1AG8 H212 H11 H 0 0 N N N N N N 7.853  -6.236  22.278 1.958  1.051  -4.477 H212 A1AG8 58 
A1AG8 H211 H12 H 0 0 N N N N N N 6.419  -6.658  21.282 2.678  1.985  -3.144 H211 A1AG8 59 
A1AG8 H213 H13 H 0 0 N N N N N N 8.041  -6.542  20.518 2.801  0.210  -3.155 H213 A1AG8 60 
A1AG8 H231 H14 H 0 0 N N N N N N 7.090  -1.490  21.908 -2.272 2.385  -2.218 H231 A1AG8 61 
A1AG8 H241 H15 H 0 0 N N N N N N 6.327  0.734   21.076 -4.322 2.091  -1.209 H241 A1AG8 62 
A1AG8 H251 H16 H 0 0 N N N N N N 4.098  -0.896  20.003 -3.708 1.383  1.530  H251 A1AG8 63 
A1AG8 H291 H17 H 0 0 N N N N N N 8.177  0.894   20.107 -0.988 -1.566 -1.119 H291 A1AG8 64 
A1AG8 H301 H18 H 0 0 N N N N N N 9.543  2.545   18.820 -1.229 -4.014 -1.009 H301 A1AG8 65 
A1AG8 H321 H19 H 0 0 N N N N N N 7.286  1.638   15.259 -4.029 -3.586 2.191  H321 A1AG8 66 
A1AG8 H331 H20 H 0 0 N N N N N N 5.995  -0.050  16.506 -3.775 -1.140 2.081  H331 A1AG8 67 
A1AG8 H353 H21 H 0 0 N N N N N N 10.690 4.572   16.367 -3.347 -5.516 2.636  H353 A1AG8 68 
A1AG8 H351 H22 H 0 0 N N N N N N 9.601  4.399   17.785 -4.680 -5.437 1.460  H351 A1AG8 69 
A1AG8 H352 H23 H 0 0 N N N N N N 10.857 3.156   17.460 -3.691 -6.912 1.587  H352 A1AG8 70 
A1AG8 H371 H24 H 0 0 N N N N N N 3.232  -0.095  17.748 -3.922 -0.308 -1.813 H371 A1AG8 71 
A1AG8 H381 H25 H 0 0 N N N N N N 2.208  1.825   16.667 -5.755 -1.838 -2.416 H381 A1AG8 72 
A1AG8 H391 H26 H 0 0 N N N N N N 2.672  4.086   17.494 -7.551 -2.306 -0.798 H391 A1AG8 73 
A1AG8 H401 H27 H 0 0 N N N N N N 4.175  4.439   19.444 -7.513 -1.244 1.424  H401 A1AG8 74 
A1AG8 H411 H28 H 0 0 N N N N N N 5.175  2.518   20.560 -5.674 0.278  2.030  H411 A1AG8 75 
A1AG8 H452 H29 H 0 0 N N N N N N 4.692  0.317   25.532 -4.844 5.833  0.917  H452 A1AG8 76 
A1AG8 H453 H30 H 0 0 N N N N N N 3.500  1.126   24.459 -3.082 5.945  1.147  H453 A1AG8 77 
A1AG8 H451 H31 H 0 0 N N N N N N 3.543  -0.667  24.564 -3.849 6.740  -0.248 H451 A1AG8 78 
A1AG8 H461 H32 H 0 0 N N N N N N 5.504  -3.201  21.951 -1.602 4.067  -0.660 H461 A1AG8 79 
A1AG8 H471 H33 H 0 0 N N N N N N 8.396  -0.929  20.346 -1.392 0.137  -2.852 H471 A1AG8 80 
A1AG8 H091 H34 H 0 0 N N N N N N 9.249  -8.441  16.184 5.292  -3.279 0.237  H091 A1AG8 81 
A1AG8 H102 H35 H 0 0 N N N N N N 9.978  -6.760  14.618 3.107  -2.530 -0.752 H102 A1AG8 82 
A1AG8 H101 H36 H 0 0 N N N N N N 10.987 -6.544  16.089 4.015  -1.659 -2.011 H101 A1AG8 83 
A1AG8 H111 H37 H 0 0 N N N N N N 10.034 -4.482  15.344 3.420  -3.865 -2.708 H111 A1AG8 84 
A1AG8 H121 H38 H 0 0 N N N N N N 10.071 -7.399  18.082 6.435  -1.467 -1.722 H121 A1AG8 85 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1AG8 O02 C01  SING N N 1  
A1AG8 C03 O02  SING N N 2  
A1AG8 C04 C03  SING N N 3  
A1AG8 C06 O05  SING N N 4  
A1AG8 O08 C07  SING N N 5  
A1AG8 C07 C06  SING N N 6  
A1AG8 C09 C06  SING N N 7  
A1AG8 O11 C10  SING N N 8  
A1AG8 C10 C09  SING N N 9  
A1AG8 O12 C09  SING N N 10 
A1AG8 O05 C04  SING N N 11 
A1AG8 O13 C04  SING N N 12 
A1AG8 C14 O13  SING N N 13 
A1AG8 C15 C14  DOUB Y N 14 
A1AG8 C16 C15  SING Y N 15 
A1AG8 C17 C16  DOUB Y N 16 
A1AG8 C19 C18  DOUB Y N 17 
A1AG8 O20 C18  SING N N 18 
A1AG8 C21 O20  SING N N 19 
A1AG8 C18 C17  SING Y N 20 
A1AG8 C22 C17  SING N N 21 
A1AG8 O27 C26  SING N N 22 
A1AG8 C28 C26  SING N N 23 
A1AG8 C29 C28  DOUB Y N 24 
A1AG8 C30 C29  SING Y N 25 
A1AG8 C31 C30  DOUB Y N 26 
A1AG8 C33 C32  DOUB Y N 27 
A1AG8 C32 C31  SING Y N 28 
A1AG8 O34 C31  SING N N 29 
A1AG8 C35 O34  SING N N 30 
A1AG8 C26 C25  SING N N 31 
A1AG8 C36 C25  SING N N 32 
A1AG8 C37 C36  DOUB Y N 33 
A1AG8 C38 C37  SING Y N 34 
A1AG8 C39 C38  DOUB Y N 35 
A1AG8 C40 C39  SING Y N 36 
A1AG8 C41 C40  DOUB Y N 37 
A1AG8 C25 C24  SING N N 38 
A1AG8 C42 C24  SING N N 39 
A1AG8 O43 C42  DOUB N N 40 
A1AG8 O44 C42  SING N N 41 
A1AG8 C45 O44  SING N N 42 
A1AG8 C24 C23  SING N N 43 
A1AG8 O46 C23  SING N N 44 
A1AG8 C23 C22  SING N N 45 
A1AG8 O47 C22  SING N N 46 
A1AG8 C03 O08  SING N N 47 
A1AG8 C14 C19  SING Y N 48 
A1AG8 C16 O27  SING N N 49 
A1AG8 C22 C26  SING N N 50 
A1AG8 C28 C33  SING Y N 51 
A1AG8 C36 C41  SING Y N 52 
A1AG8 C01 H012 SING N N 53 
A1AG8 C01 H013 SING N N 54 
A1AG8 C01 H011 SING N N 55 
A1AG8 C03 H031 SING N N 56 
A1AG8 C04 H041 SING N N 57 
A1AG8 C06 H061 SING N N 58 
A1AG8 C07 H071 SING N N 59 
A1AG8 C07 H072 SING N N 60 
A1AG8 C15 H151 SING N N 61 
A1AG8 C19 H191 SING N N 62 
A1AG8 C21 H212 SING N N 63 
A1AG8 C21 H211 SING N N 64 
A1AG8 C21 H213 SING N N 65 
A1AG8 C23 H231 SING N N 66 
A1AG8 C24 H241 SING N N 67 
A1AG8 C25 H251 SING N N 68 
A1AG8 C29 H291 SING N N 69 
A1AG8 C30 H301 SING N N 70 
A1AG8 C32 H321 SING N N 71 
A1AG8 C33 H331 SING N N 72 
A1AG8 C35 H353 SING N N 73 
A1AG8 C35 H351 SING N N 74 
A1AG8 C35 H352 SING N N 75 
A1AG8 C37 H371 SING N N 76 
A1AG8 C38 H381 SING N N 77 
A1AG8 C39 H391 SING N N 78 
A1AG8 C40 H401 SING N N 79 
A1AG8 C41 H411 SING N N 80 
A1AG8 C45 H452 SING N N 81 
A1AG8 C45 H453 SING N N 82 
A1AG8 C45 H451 SING N N 83 
A1AG8 O46 H461 SING N N 84 
A1AG8 O47 H471 SING N N 85 
A1AG8 C09 H091 SING N N 86 
A1AG8 C10 H102 SING N N 87 
A1AG8 C10 H101 SING N N 88 
A1AG8 O11 H111 SING N N 89 
A1AG8 O12 H121 SING N N 90 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
A1AG8 SMILES           ACDLabs              12.01 "COC1OCC(OC1Oc1cc(OC)c2c(OC3(c4ccc(OC)cc4)C(c4ccccc4)C(C(=O)OC)C(O)C23O)c1)C(O)CO"                                                                                                                                                                                     
A1AG8 InChI            InChI                1.06  "InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1" 
A1AG8 InChIKey         InChI                1.06  GVKXFVCXBFGBCD-QKDMMWSPSA-N                                                                                                                                                                                                                                            
A1AG8 SMILES_CANONICAL CACTVS               3.385 "CO[C@@H]1OC[C@@H](O[C@H]1Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c5ccccc5)c6ccc(OC)cc6)c2)[C@H](O)CO"                                                                                                                                              
A1AG8 SMILES           CACTVS               3.385 "CO[CH]1OC[CH](O[CH]1Oc2cc(OC)c3c(O[C]4([CH]([CH]([CH](O)[C]34O)C(=O)OC)c5ccccc5)c6ccc(OC)cc6)c2)[CH](O)CO"                                                                                                                                                            
A1AG8 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "COc1ccc(cc1)[C@]23[C@@H]([C@H]([C@H]([C@]2(c4c(cc(cc4OC)O[C@H]5[C@@H](OC[C@@H](O5)[C@@H](CO)O)OC)O3)O)O)C(=O)OC)c6ccccc6"                                                                                                                                             
A1AG8 SMILES           "OpenEye OEToolkits" 2.0.7 "COc1ccc(cc1)C23C(C(C(C2(c4c(cc(cc4OC)OC5C(OCC(O5)C(CO)O)OC)O3)O)O)C(=O)OC)c6ccccc6"                                                                                                                                                                                   
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1AG8 "SYSTEMATIC NAME" ACDLabs              12.01 "methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate"                                          
A1AG8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "methyl (1~{R},2~{R},3~{S},3~{a}~{R},8~{b}~{S})-6-[[(2~{S},3~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-8-methoxy-3~{a}-(4-methoxyphenyl)-1,8~{b}-bis(oxidanyl)-3-phenyl-2,3-dihydro-1~{H}-cyclopenta[b][1]benzofuran-2-carboxylate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AG8 "Create component" 2024-03-05 RCSB 
A1AG8 "Initial release"  2024-10-23 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1AG8 
_pdbx_chem_comp_synonyms.name         "methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
