Interaction

curated

Interaction Scheme

Molecule

Fenchol
Fenchol

Host

Cb8
CB8

c = 10.0 µM

Indicator

1 methyl 3 6 %283 methylimidazol 3 ium 1 yl%29methyl naphthalen 2 yl methyl imidazol 1 ium
1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)me...

c = 10.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.20⋅108 M-1
Kd =
logKa = 8.51
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -48.55 -11.6
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 294.0 nm
𝛌em = 338.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

M. A. Romero, J. A. González-Delgado, J. Mendoza, J. F. Arteaga, N. Basílio, U. Pischel, SupraBank 2024, Terpenes Show Nanomolar Affinity and Selective Binding with Cucurbit[8]uril (dataset). https://doi.org/10.34804/supra.2021092876

Link: https://doi.org/10.34804/supra.2021092876
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. A. Romero, J. A. González-Delgado, J. Mendoza, J. F. Arteaga, N. Basílio, U. Pischel, Isr. J. Chem. 2017, 58, 487–492.

Link: https://doi.org/10.1002/ijch.201700119
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Fenchol (6.25e-08 M) and CB8 (0 — 1.25e-07 M).