AsterDB

AsterDB is the AsterBioChem in house database that contains hundreds of chemical structures reported is species from Asteraceae. AsterDB is the first database with free access dedicated only to the sunflower family.

To view the AsterDB online version (only browsing), click here

AsterDB is an unique database and contains around 2,500 unique chemical structures of terpenoids, flavonoids, trans-cinnamic acid derivatives and other minor chemical classes of natural products, including more than 1,000 structures of sesquiterpene lactones. The AsterDB structures were reported in important medicinal (arnica, chamomile, dandelion, tansy, yarrow, etc.), ornamental (daisy, dahlia, etc.) or edible plants (artichoke, lettuce, chicory, etc.) as well as in other taxonomically interesting taxa such as Tithonia, Espeletia, Aldama (ex- Viguiera), Mikania, Baccharis, Barnadesioidae, Lychnophorinae, Chrestinae, Vernonieae, etc.

All structures are 2D with their assigned stereochemistry and are currently being used in different studies, such as virtual screening, Quantitative Structure-Activity (QSAR) and Quantitative Structure-Retention Relationship (QSRR) models, dereplication of extracts using LC-MS data as well as for chemotaxonomic investigation of different groups. The structures are stored as SMILES or SDF files and are available upon request.

The AsterDB structures are also available at the ZINC database: click here or here. ZINC is a free database of commercially-available compounds for virtual screening with over 35 million compounds.

Read our publications citing AsterDB:

- Souza et al., Phytochem. Lett. 25, 2018.

- Scotti et al., Molecules 23: 103, 2018.

- Padilla-Gonzalez et al., Sci. Rep. 7: 8835, 2017.

- Sampaio et al., Sci. Rep. 6: 29265, 2016.

- Oliveira et al., J. Chem. Inf. Model. 55: 26-38, 2015.

- Chagas-Paula et al., Metabolites 5: 404-430, 2015.

- Chagas-Paula et al., Planta Med. 81: 1296-1307, 2015.