Interaction

curated

Interaction Scheme

Molecule

Eucalyptol
Eucalyptol

c = 400.0 µM

Host

Cb7
CB7

c = 0.0 — 800.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.50⋅105 M-1
Kd =
logKa = 5.93
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.85 -8.09
ΔH = -37.4 -8.94
-TΔS = 3.6 0.86
J mol-1 K-1 cal mol-1 K-1
ΔS = -12.1 -2.9
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: Nano ITC
VCell = 1000.0 𝜇L
VSyringe = 250.0 𝜇L
Molecule: cell
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. A. Romero, J. A. González-Delgado, J. F. Arteaga, N. Basílio, U. Pischel, A. J. Moro, M. Domingues, SupraBank 2024, Photocaged Competitor Guests: A General Approach Toward Light-Activated Cargo Release From Cucurbiturils (dataset). https://doi.org/10.34804/supra.20210928128

Link: https://doi.org/10.34804/supra.20210928128
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. A. Romero, N. Basílio, A. J. Moro, M. Domingues, J. A. González-Delgado, J. F. Arteaga, U. Pischel, Chem. Eur. J. 2017, 23, 13105–13111.

Link: https://doi.org/10.1002/chem.201702185
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Eucalyptol (2.3529411764705884e-05 M) and CB7 (0 — 4.705882352941177e-05 M).