data_8PP
# 
_chem_comp.id                                    8PP 
_chem_comp.name                                  2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C46 H70 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-12-06 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        639.047 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     8PP 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1Y0G 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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.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 
8PP C1   C1   C 0 1 Y N N -8.948  19.082 31.166 -0.468 -0.687 -14.430 C1   8PP 1   
8PP C2   C2   C 0 1 Y N N -7.982  19.252 30.109 0.075  0.570  -14.212 C2   8PP 2   
8PP C3   C3   C 0 1 Y N N -7.190  20.342 30.121 -0.647 1.700  -14.542 C3   8PP 3   
8PP C4   C4   C 0 1 Y N N -7.282  21.349 31.173 -1.914 1.579  -15.082 C4   8PP 4   
8PP O    O    O 0 1 N N N -9.663  18.072 31.130 0.241  -1.800 -14.107 O    8PP 5   
8PP C5   C5   C 0 1 Y N N -8.249  21.205 32.261 -2.460 0.327  -15.295 C5   8PP 6   
8PP C6   C6   C 0 1 Y N N -9.071  20.084 32.252 -1.741 -0.806 -14.967 C6   8PP 7   
8PP C7   C7   C 0 1 N N N -7.948  18.275 28.927 1.456  0.703  -13.623 C7   8PP 8   
8PP C8   C8   C 0 1 N N N -9.275  18.324 28.180 1.357  0.770  -12.121 C8   8PP 9   
8PP C9   C9   C 0 1 N N N -9.859  17.020 27.640 2.043  -0.065 -11.382 C9   8PP 10  
8PP C10  C10  C 0 1 N N N -9.852  15.579 28.137 3.019  -1.015 -12.026 C10  8PP 11  
8PP C11  C11  C 0 1 N N N -10.849 17.247 26.467 1.855  -0.077 -9.886  C11  8PP 12  
8PP C12  C12  C 0 1 N N N -10.806 18.581 25.754 0.744  -1.063 -9.520  C12  8PP 13  
8PP C13  C13  C 0 1 N N N -11.448 18.449 24.369 0.556  -1.075 -8.024  C13  8PP 14  
8PP C14  C14  C 0 1 N N N -11.133 18.943 23.191 -0.623 -0.831 -7.510  C14  8PP 15  
8PP C15  C15  C 0 1 N N N -9.729  18.659 22.639 -1.817 -0.660 -8.413  C15  8PP 16  
8PP C16  C16  C 0 1 N N N -12.313 19.710 22.590 -0.786 -0.721 -6.016  C16  8PP 17  
8PP C17  C17  C 0 1 N N N -12.340 20.350 21.177 -0.581 0.732  -5.586  C17  8PP 18  
8PP C18  C18  C 0 1 N N N -13.572 20.220 20.307 -0.744 0.841  -4.092  C18  8PP 19  
8PP C19  C19  C 0 1 N N N -13.460 20.055 18.950 0.207  1.373  -3.366  C19  8PP 20  
8PP C20  C20  C 0 1 N N N -12.074 19.782 18.343 1.410  1.987  -4.035  C20  8PP 21  
8PP C21  C21  C 0 1 N N N -14.642 20.133 18.010 0.099  1.372  -1.863  C21  8PP 22  
8PP C22  C22  C 0 1 N N N -14.604 21.423 17.253 0.738  0.098  -1.307  C22  8PP 23  
8PP C23  C23  C 0 1 N N N -15.456 21.254 16.003 0.630  0.097  0.195   C23  8PP 24  
8PP C24  C24  C 0 1 N N N -16.238 22.340 15.617 0.055  -0.906 0.810   C24  8PP 25  
8PP C25  C25  C 0 1 N N N -15.666 23.760 15.767 -0.606 -1.999 0.011   C25  8PP 26  
8PP C26  C26  C 0 1 N N N -17.647 22.299 15.053 0.054  -0.967 2.316   C26  8PP 27  
8PP C27  C27  C 0 1 N N N -17.659 22.110 13.518 -1.189 -0.257 2.854   C27  8PP 28  
8PP C28  C28  C 0 1 N N N -19.096 22.076 12.956 -1.189 -0.318 4.360   C28  8PP 29  
8PP C29  C29  C 0 1 N N N -19.536 21.209 12.040 -1.263 0.785  5.060   C29  8PP 30  
8PP C30  C30  C 0 1 N N N -18.695 20.049 11.488 -1.461 2.107  4.364   C30  8PP 31  
8PP C31  C31  C 0 1 N N N -20.982 21.211 11.520 -1.151 0.734  6.562   C31  8PP 32  
8PP C32  C32  C 0 1 N N N -21.908 22.223 12.072 0.316  0.878  6.969   C32  8PP 33  
8PP C33  C33  C 0 1 N N N -23.295 22.083 11.464 0.429  0.826  8.471   C33  8PP 34  
8PP C34  C34  C 0 1 N N N -24.222 22.963 11.910 1.227  -0.043 9.039   C34  8PP 35  
8PP C35  C35  C 0 1 N N N -24.010 24.008 12.904 2.116  -0.916 8.191   C35  8PP 36  
8PP C36  C36  C 0 1 N N N -25.584 22.727 11.246 1.255  -0.172 10.540  C36  8PP 37  
8PP C37  C37  C 0 1 N N N -25.721 21.569 10.228 0.224  -1.212 10.982  C37  8PP 38  
8PP C38  C38  C 0 1 N N N -27.031 21.680 9.454  0.252  -1.340 12.484  C38  8PP 39  
8PP C39  C39  C 0 1 N N N -28.070 20.861 9.776  -0.848 -1.185 13.175  C39  8PP 40  
8PP C40  C40  C 0 1 N N N -29.486 21.165 9.275  -0.800 -1.192 14.681  C40  8PP 41  
8PP C41  C41  C 0 1 N N N -28.186 19.576 10.615 -2.165 -1.000 12.465  C41  8PP 42  
8PP C42  C42  C 0 1 N N N -29.894 20.255 8.123  -0.582 0.234  15.191  C42  8PP 43  
8PP C43  C43  C 0 1 N N N -29.340 20.774 6.904  -0.533 0.227  16.697  C43  8PP 44  
8PP C44  C44  C 0 1 N N N -29.742 20.480 5.635  0.494  0.745  17.321  C44  8PP 45  
8PP C45  C45  C 0 1 N N N -28.646 20.271 4.580  0.602  0.630  18.820  C45  8PP 46  
8PP C46  C46  C 0 1 N N N -31.219 20.345 5.175  1.570  1.456  16.541  C46  8PP 47  
8PP H3   H3   H 0 1 N N N -6.477  20.409 29.282 -0.222 2.679  -14.377 H3   8PP 48  
8PP H4   H4   H 0 1 N N N -6.615  22.227 31.146 -2.478 2.464  -15.338 H4   8PP 49  
8PP HO   HO   H 0 1 N N N -10.299 17.960 31.826 0.748  -2.046 -14.893 HO   8PP 50  
8PP H5   H5   H 0 1 N N N -8.357  21.935 33.081 -3.450 0.234  -15.717 H5   8PP 51  
8PP H6   H6   H 0 1 N N N -9.796  19.993 33.078 -2.169 -1.784 -15.133 H6   8PP 52  
8PP H71  1H7  H 0 1 N N N -7.684  17.240 29.246 1.924  1.613  -13.998 H71  8PP 53  
8PP H72  2H7  H 0 1 N N N -7.080  18.462 28.253 2.058  -0.159 -13.910 H72  8PP 54  
8PP H8   H8   H 0 1 N N N -9.801  19.282 28.033 0.721  1.507  -11.654 H8   8PP 55  
8PP H101 1H10 H 0 0 N N N -10.266 15.650 29.170 3.729  -0.451 -12.631 H101 8PP 56  
8PP H102 2H10 H 0 0 N N N -10.278 14.627 27.743 3.556  -1.564 -11.253 H102 8PP 57  
8PP H103 3H10 H 0 0 N N N -8.770  15.350 28.278 2.478  -1.717 -12.661 H103 8PP 58  
8PP H111 1H11 H 0 0 N N N -11.888 17.055 26.822 1.581  0.921  -9.547  H111 8PP 59  
8PP H112 2H11 H 0 0 N N N -10.726 16.428 25.720 2.785  -0.382 -9.406  H112 8PP 60  
8PP H121 1H12 H 0 0 N N N -9.772  18.994 25.699 1.018  -2.062 -9.859  H121 8PP 61  
8PP H122 2H12 H 0 0 N N N -11.273 19.394 26.357 -0.185 -0.758 -10.000 H122 8PP 62  
8PP H13  H13  H 0 1 N N N -12.356 17.855 24.173 1.395  -1.284 -7.376  H13  8PP 63  
8PP H151 1H15 H 0 0 N N N -9.557  17.557 22.630 -1.914 -1.534 -9.057  H151 8PP 64  
8PP H152 2H15 H 0 0 N N N -9.462  19.078 21.641 -2.717 -0.552 -7.808  H152 8PP 65  
8PP H153 3H15 H 0 0 N N N -8.970  18.987 23.387 -1.684 0.229  -9.028  H153 8PP 66  
8PP H161 1H16 H 0 0 N N N -12.568 20.520 23.312 -0.048 -1.354 -5.523  H161 8PP 67  
8PP H162 2H16 H 0 0 N N N -13.197 19.034 22.651 -1.788 -1.046 -5.735  H162 8PP 68  
8PP H171 1H17 H 0 0 N N N -11.462 19.972 20.603 -1.319 1.364  -6.079  H171 8PP 69  
8PP H172 2H17 H 0 0 N N N -12.092 21.433 21.277 0.420  1.056  -5.867  H172 8PP 70  
8PP H18  H18  H 0 1 N N N -14.609 20.247 20.683 -1.646 0.481  -3.619  H18  8PP 71  
8PP H201 1H20 H 0 0 N N N -11.629 18.894 18.850 1.083  2.739  -4.752  H201 8PP 72  
8PP H202 2H20 H 0 0 N N N -11.983 19.648 17.240 2.045  2.454  -3.282  H202 8PP 73  
8PP H203 3H20 H 0 0 N N N -11.376 20.590 18.665 1.973  1.210  -4.554  H203 8PP 74  
8PP H211 1H21 H 0 0 N N N -15.611 19.988 18.542 -0.950 1.408  -1.574  H211 8PP 75  
8PP H212 2H21 H 0 0 N N N -14.696 19.250 17.331 0.616  2.243  -1.461  H212 8PP 76  
8PP H221 1H22 H 0 0 N N N -13.566 21.762 17.027 1.789  0.062  -1.596  H221 8PP 77  
8PP H222 2H22 H 0 0 N N N -14.913 22.297 17.872 0.221  -0.772 -1.709  H222 8PP 78  
8PP H23  H23  H 0 1 N N N -15.507 20.346 15.378 1.027  0.923  0.766   H23  8PP 79  
8PP H251 1H25 H 0 0 N N N -14.689 23.812 15.232 0.147  -2.532 -0.568  H251 8PP 80  
8PP H252 2H25 H 0 0 N N N -16.292 24.629 15.458 -1.102 -2.695 0.688   H252 8PP 81  
8PP H253 3H25 H 0 0 N N N -15.343 23.908 16.824 -1.342 -1.562 -0.663  H253 8PP 82  
8PP H261 1H26 H 0 0 N N N -18.227 23.203 15.352 0.948  -0.476 2.699   H261 8PP 83  
8PP H262 2H26 H 0 0 N N N -18.261 21.518 15.560 0.046  -2.009 2.637   H262 8PP 84  
8PP H271 1H27 H 0 0 N N N -17.083 21.204 13.216 -2.083 -0.749 2.470   H271 8PP 85  
8PP H272 2H27 H 0 0 N N N -17.042 22.887 13.009 -1.180 0.784  2.533   H272 8PP 86  
8PP H28  H28  H 0 1 N N N -19.913 22.758 13.246 -1.128 -1.273 4.862   H28  8PP 87  
8PP H301 1H30 H 0 0 N N N -18.344 19.453 12.362 -2.432 2.115  3.869   H301 8PP 88  
8PP H302 2H30 H 0 0 N N N -19.062 19.325 10.723 -1.420 2.913  5.097   H302 8PP 89  
8PP H303 3H30 H 0 0 N N N -17.747 20.488 11.097 -0.674 2.249  3.623   H303 8PP 90  
8PP H311 1H31 H 0 0 N N N -21.423 20.196 11.656 -1.536 -0.218 6.923   H311 8PP 91  
8PP H312 2H31 H 0 0 N N N -20.973 21.289 10.408 -1.730 1.549  6.998   H312 8PP 92  
8PP H321 1H32 H 0 0 N N N -21.508 23.257 11.949 0.702  1.831  6.608   H321 8PP 93  
8PP H322 2H32 H 0 0 N N N -21.942 22.185 13.186 0.895  0.063  6.533   H322 8PP 94  
8PP H33  H33  H 0 1 N N N -23.625 21.351 10.708 -0.147 1.507  9.079   H33  8PP 95  
8PP H351 1H35 H 0 0 N N N -23.150 24.617 12.540 2.835  -0.293 7.659   H351 8PP 96  
8PP H352 2H35 H 0 0 N N N -24.773 24.733 13.271 2.647  -1.622 8.829   H352 8PP 97  
8PP H353 3H35 H 0 0 N N N -23.598 23.502 13.808 1.507  -1.463 7.471   H353 8PP 98  
8PP H361 1H36 H 0 0 N N N -25.920 23.674 10.764 1.017  0.790  10.992  H361 8PP 99  
8PP H362 2H36 H 0 0 N N N -26.357 22.604 12.040 2.249  -0.487 10.859  H362 8PP 100 
8PP H371 1H37 H 0 0 N N N -25.615 20.574 10.719 0.462  -2.175 10.531  H371 8PP 101 
8PP H372 2H37 H 0 0 N N N -24.842 21.514 9.545  -0.769 -0.897 10.663  H372 8PP 102 
8PP H38  H38  H 0 1 N N N -27.235 22.381 8.628  1.181  -1.561 12.989  H38  8PP 103 
8PP H401 1H40 H 0 0 N N N -29.595 22.240 8.999  0.020  -1.826 15.016  H401 8PP 104 
8PP H402 2H40 H 0 0 N N N -30.227 21.121 10.107 -1.740 -1.578 15.074  H402 8PP 105 
8PP H411 1H41 H 0 0 N N N -27.752 19.860 11.602 -2.324 -1.828 11.773  H411 8PP 106 
8PP H412 2H41 H 0 0 N N N -29.037 18.905 10.879 -2.972 -0.978 13.196  H412 8PP 107 
8PP H413 3H41 H 0 0 N N N -27.434 18.890 10.160 -2.150 -0.062 11.911  H413 8PP 108 
8PP H421 1H42 H 0 0 N N N -30.998 20.114 8.063  -1.403 0.868  14.857  H421 8PP 109 
8PP H422 2H42 H 0 0 N N N -29.611 19.191 8.300  0.358  0.620  14.798  H422 8PP 110 
8PP H43  H43  H 0 1 N N N -28.500 21.488 6.948  -1.346 -0.204 17.262  H43  8PP 111 
8PP H451 1H45 H 0 0 N N N -27.936 19.488 4.934  1.518  1.117  19.157  H451 8PP 112 
8PP H452 2H45 H 0 0 N N N -28.975 20.031 3.542  -0.257 1.113  19.284  H452 8PP 113 
8PP H453 3H45 H 0 0 N N N -27.978 21.163 4.559  0.625  -0.421 19.103  H453 8PP 114 
8PP H461 1H46 H 0 0 N N N -31.732 21.293 5.462  1.119  2.244  15.937  H461 8PP 115 
8PP H462 2H46 H 0 0 N N N -31.548 20.105 4.137  2.290  1.895  17.231  H462 8PP 116 
8PP H463 3H46 H 0 0 N N N -31.695 19.591 5.845  2.077  0.745  15.889  H463 8PP 117 
# 
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 
8PP C1  C2   DOUB Y N 1   
8PP C1  O    SING N N 2   
8PP C1  C6   SING Y N 3   
8PP C2  C3   SING Y N 4   
8PP C2  C7   SING N N 5   
8PP C3  C4   DOUB Y N 6   
8PP C3  H3   SING N N 7   
8PP C4  C5   SING Y N 8   
8PP C4  H4   SING N N 9   
8PP O   HO   SING N N 10  
8PP C5  C6   DOUB Y N 11  
8PP C5  H5   SING N N 12  
8PP C6  H6   SING N N 13  
8PP C7  C8   SING N N 14  
8PP C7  H71  SING N N 15  
8PP C7  H72  SING N N 16  
8PP C8  C9   DOUB N E 17  
8PP C8  H8   SING N N 18  
8PP C9  C10  SING N N 19  
8PP C9  C11  SING N N 20  
8PP C10 H101 SING N N 21  
8PP C10 H102 SING N N 22  
8PP C10 H103 SING N N 23  
8PP C11 C12  SING N N 24  
8PP C11 H111 SING N N 25  
8PP C11 H112 SING N N 26  
8PP C12 C13  SING N N 27  
8PP C12 H121 SING N N 28  
8PP C12 H122 SING N N 29  
8PP C13 C14  DOUB N E 30  
8PP C13 H13  SING N N 31  
8PP C14 C15  SING N N 32  
8PP C14 C16  SING N N 33  
8PP C15 H151 SING N N 34  
8PP C15 H152 SING N N 35  
8PP C15 H153 SING N N 36  
8PP C16 C17  SING N N 37  
8PP C16 H161 SING N N 38  
8PP C16 H162 SING N N 39  
8PP C17 C18  SING N N 40  
8PP C17 H171 SING N N 41  
8PP C17 H172 SING N N 42  
8PP C18 C19  DOUB N E 43  
8PP C18 H18  SING N N 44  
8PP C19 C20  SING N N 45  
8PP C19 C21  SING N N 46  
8PP C20 H201 SING N N 47  
8PP C20 H202 SING N N 48  
8PP C20 H203 SING N N 49  
8PP C21 C22  SING N N 50  
8PP C21 H211 SING N N 51  
8PP C21 H212 SING N N 52  
8PP C22 C23  SING N N 53  
8PP C22 H221 SING N N 54  
8PP C22 H222 SING N N 55  
8PP C23 C24  DOUB N E 56  
8PP C23 H23  SING N N 57  
8PP C24 C25  SING N N 58  
8PP C24 C26  SING N N 59  
8PP C25 H251 SING N N 60  
8PP C25 H252 SING N N 61  
8PP C25 H253 SING N N 62  
8PP C26 C27  SING N N 63  
8PP C26 H261 SING N N 64  
8PP C26 H262 SING N N 65  
8PP C27 C28  SING N N 66  
8PP C27 H271 SING N N 67  
8PP C27 H272 SING N N 68  
8PP C28 C29  DOUB N E 69  
8PP C28 H28  SING N N 70  
8PP C29 C30  SING N N 71  
8PP C29 C31  SING N N 72  
8PP C30 H301 SING N N 73  
8PP C30 H302 SING N N 74  
8PP C30 H303 SING N N 75  
8PP C31 C32  SING N N 76  
8PP C31 H311 SING N N 77  
8PP C31 H312 SING N N 78  
8PP C32 C33  SING N N 79  
8PP C32 H321 SING N N 80  
8PP C32 H322 SING N N 81  
8PP C33 C34  DOUB N E 82  
8PP C33 H33  SING N N 83  
8PP C34 C35  SING N N 84  
8PP C34 C36  SING N N 85  
8PP C35 H351 SING N N 86  
8PP C35 H352 SING N N 87  
8PP C35 H353 SING N N 88  
8PP C36 C37  SING N N 89  
8PP C36 H361 SING N N 90  
8PP C36 H362 SING N N 91  
8PP C37 C38  SING N N 92  
8PP C37 H371 SING N N 93  
8PP C37 H372 SING N N 94  
8PP C38 C39  DOUB N E 95  
8PP C38 H38  SING N N 96  
8PP C39 C40  SING N N 97  
8PP C39 C41  SING N N 98  
8PP C40 C42  SING N N 99  
8PP C40 H401 SING N N 100 
8PP C40 H402 SING N N 101 
8PP C41 H411 SING N N 102 
8PP C41 H412 SING N N 103 
8PP C41 H413 SING N N 104 
8PP C42 C43  SING N N 105 
8PP C42 H421 SING N N 106 
8PP C42 H422 SING N N 107 
8PP C43 C44  DOUB N N 108 
8PP C43 H43  SING N N 109 
8PP C44 C45  SING N N 110 
8PP C44 C46  SING N N 111 
8PP C45 H451 SING N N 112 
8PP C45 H452 SING N N 113 
8PP C45 H453 SING N N 114 
8PP C46 H461 SING N N 115 
8PP C46 H462 SING N N 116 
8PP C46 H463 SING N N 117 
# 
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 
8PP SMILES           ACDLabs              10.04 Oc1ccccc1C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)C 
8PP InChI            InChI                1.02b 
;InChI=1/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
;
8PP InChIKey         InChI                1.02b VUNQJPPPTJIREN-CMAXTTDKBM 
8PP SMILES_CANONICAL CACTVS               3.341 CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/Cc1ccccc1O 
8PP SMILES           CACTVS               3.341 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1O 
8PP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C 
8PP SMILES           "OpenEye OEToolkits" 1.5.0 CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1ccccc1O)C)C)C)C)C)C)C)C 
# 
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 
8PP "SYSTEMATIC NAME" ACDLabs              10.04 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol 
8PP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[(10E,18E,22E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol                  
# 
