1. Latest update:

    1. Release data: 17.09.2021

    2. Unique structures: 3128

    3. Unique taxonomic species: 233

    4. Records of biological activity in compounds in vitro: 13 688

    5. Records of biological activity in compounds in silico: 1332884

  2. 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.

  3. 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

  4. Biological activities in vitro

    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.

  5. Biological activities in silico

    Phyto4Health database the database contains the results of predicting biological activities calculated using PASS2022 Refined. The total number of unique activities predicted at the Pa-Pi > 0 threshold is 1954. The total number of records is 1332884.