Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica Linn, with respect to inhibition of digestive enzymes and induction of glucose uptake in L6 myotubes
P., Sasikumar; B., Prabha; T. R., Reshmitha; Veluthoor, Sheeba; A. K., Pradeep; K. R., Rohit; P, Dhanya B; V. V., Sivan; M. M., Jithin; N., Anil Kumar; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan; RSC Adv.  (2016) –; doi:10.1039/C6RA14334B

data_7226117
_publ_section_title
;
 Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair
 of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica
 Linn, with respect to inhibition of digestive enzymes and induction of
 glucose uptake in L6 myotubes
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA14334B
_journal_year                    2016
_chemical_formula_moiety         'C56 H42 O12'
_chemical_formula_sum            'C56 H42 O12'
_chemical_formula_weight         906.89
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-04-22 deposited with the CCDC.
2016-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2315(2)
_cell_length_b                   20.8456(5)
_cell_length_c                   24.0263(6)
_cell_measurement_reflns_used    6862
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.75
_cell_measurement_theta_min      2.59
_cell_volume                     5625.2(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            24258
_diffrn_reflns_point_group_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.293
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.9888
_exptl_absorpt_correction_T_min  0.9851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.071
_exptl_crystal_density_meas      1.070
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   0.989
_exptl_transmission_factor_min   0.986
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details
;
 Flack x determined using 2604 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.5(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         9616
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1242P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1920
_reflns_Friedel_coverage         0.753
_reflns_Friedel_fraction_full    0.909
_reflns_Friedel_fraction_max     0.936
_reflns_number_gt                7147
_reflns_number_total             9616
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra14334b2.cif
_cod_data_source_block           shelx
_cod_database_code               7226117
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2014-3
_shelx_res_checksum              90054
_shelx_fab_checksum              46624