Here are some:

http://www.ebi.ac.uk/chebi/

https://phytochem.nal.usda.gov/phytochem/search

https://pubchem.ncbi.nlm.nih.gov/

Also, look up the plant species you are working with. A search on the compound and the biology may be fruitful too.

Thank you Jack Silver

Thanks Jack Silver

Dear Shefin,

Recently, I am also using NPASS database (http://bidd2.nus.edu.sg/NPASS/) for virtual screening as well. You may want to take a look. Hope it helps!

Best Regards,

Ref:

[1] Zeng, X. et al. NPASS: Natural product activity and species source database for natural product research, discovery and tool development. Nucleic Acids Res. 46, D1217–D1222 (2018).

This league has databases focused on natural products and compounds:

https://www.secondarymetabolites.org/cpd_databases/#npedia-natural-products-encyclopedia

I hope it helps you

Foi can search here

https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00424-9