Natural Product
Phyto4Health database contains 3128 unique structures of chemical compounds. Structures of all compounds presented in InChI, InChi Key Canonical SMILES formats. The data were supplemented with chemical compound identifiers in PubChem, ChEMBL and ChEBI. Following physicochemical properties of number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), number of rotatable bonds (RTB), polar surface are (PSA) and octanol-water partition coefficient (AlogP) for each chemical compound are presented.
Source plant
Phyto4Health database contains 233 taxonomic species of Russian officinal medicinal plants. These species are members of 71 families. The total number of "plant - plant part - phytocomponent" is 9489
In vitro experiment data
Phyto4Health database contains data of interactions with 802 human molecular targets. The data contains interaction score values (IC50, Ki, Kd, EC50, AC50, ED50, GI50), a UniProt identifier, and a reference to the study. The total number of records is 13 688.