Coumarin is considered a versatile and privileged scaffold in medicinal chemistry. In recent decades, a large number of natural products containing the coumarin scaffold have been isolated and identified from natural resources. The literature shows that coumarin derivatives display a wide spectrum of biological activities such as antibacterial, antioxidant, anticoagulant, anti-inflammatory and neuroprotective properties.

CoumarinDB collects chemical information about naturally occurring coumarins, to cope with the growing amount of available data and to speed up drug discovery from natural products.

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If you use this database, please cite the related article:

“Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE.” Journal of Biomolecular Structure and Dynamics. doi:10.1080/07391102.2023.2209650

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Drug-likeness rules Passes Lipinski's rule of five (at most 1 violation of MW ≤ 500, cLogP ≤ 5, HBD ≤ 5, HBA ≤ 10) Passes Veber's rules (rotatable bonds ≤ 10 and TPSA ≤ 140 Å²)

Rules are evaluated on the values listed in this table.

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References

Dean, F. M. (1952). Naturally occurring coumarins. Fortschritte der Chemie Organischer Naturstoffe / Progress in the Chemistry of Organic Natural Products / Progrès dans la Chimie des Substances Organiques Naturelles, 225–291.
Soine, T. O. (1964). Naturally occurring coumarins and related physiological activities. Journal of Pharmaceutical Sciences, 53(3), 231–264.
Murray, R. D. (2002). The naturally occurring coumarins. Fortschritte der Chemie Organischer Naturstoffe / Progress in the Chemistry of Organic Natural Products, 1–619.
Sarker, S. D., & Nahar, L. (2017). Progress in the chemistry of naturally occurring coumarins. Progress in the Chemistry of Organic Natural Products, 106, 241–304.