Interaction

curated

Interaction Scheme

Molecule

Eucalyptol
Eucalyptol

c = 0.0 — 130.0 µM

Host

Cb7
CB7

c = 17.7 µM

Indicator

Sodium %28e%29 4 %284 %283 %284 %28diethylamino%29phenyl%29acryloyl%29phenoxy%29butane 1 sulfonate
Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acry...

c = 6.7 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.40⋅105 M-1
Kd =
logKa = 5.53 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -31.57 ± NaN -7.55 ± NaN
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 505.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 99.8 %
ethanol 0.2 %
pH 9.0
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
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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
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Eucalyptol (5.882352941176471e-05 M) and CB7 (0 — 0.00011764705882352942 M).