BDBM36268 6-O-(4-formylphenyl)-beta-cyclodextrin

SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](COc6ccc(C=O)cc6)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI Key InChIKey=PSJSEXQXPAWBQB-XISQNVKBSA-N

Data  8 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 8 hits for monomerid = 36268   

HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36176(cyclopentanol)
ITC DataΔG°: -3.81kcal/mole −TΔS°: -3.77kcal/mole ΔH°: -0.0358kcal/mole logk: 618
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.07kcal/mole −TΔS°: -3.60kcal/mole ΔH°: -0.480kcal/mole logk: 964
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36178(cycloheptanol)
ITC DataΔG°: -4.82kcal/mole −TΔS°: -3.03kcal/mole ΔH°: -1.80kcal/mole logk: 3.44E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36194(cyclooctanol)
ITC DataΔG°: -5.22kcal/mole −TΔS°: -2.66kcal/mole ΔH°: -2.57kcal/mole logk: 6.72E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36263((+)-camphor)
ITC DataΔG°: -5.58kcal/mole −TΔS°: -2.43kcal/mole ΔH°: -3.15kcal/mole logk: 1.23E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36264((-)-camphor)
ITC DataΔG°: -5.37kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -4.29kcal/mole logk: 8.80E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36265((+)-borneol)
ITC DataΔG°: -6.29kcal/mole −TΔS°: -1.46kcal/mole ΔH°: -4.83kcal/mole logk: 4.11E+4
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM36266((-)-borneol)
ITC DataΔG°: -6.35kcal/mole −TΔS°: -0.961kcal/mole ΔH°: -5.39kcal/mole logk: 4.55E+4
pH: 7.2 T: 25.00°C