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mSorok / NaturalProductsOnline

Website code for COCONUT
https://coconut.naturalproducts.net/
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Natural Products only ? #116

Open RicardoMBorges opened 11 months ago

RicardoMBorges commented 11 months ago

Hello there, I´m doing some searching on ChEMBL and noticed that when I filter for Natural Products, it brings up some synthetic compounds. I contacted them and they replied as follows: "The filter works in a way that it flags all compounds that are listed in the COCONUT database (https://coconut.naturalproducts.net/) as Natural products."

My question is: Do you have only Natural Products listed in COCONUT? I would expect the answer to be yes, but decided to ask here.

As an example, they flagged ACETAMINOPHEN as a natural product. There is Acetaminophen Mercapturate, which is a metabolite of Acetaminophen in COCONUT.

Thank you

steinbeck commented 11 months ago

Hi Ricardo, we do indeed aim for COCONUT to only contain Natural Products, knowing that there might be the occasional borderline case. I would say that drug metabolites are no borderline cases and should not be in COCONUT. COCONUT is still very much a database accumulated from various sources and it will take years to clean it up :) Your report is very much welcome, and we will flag this entry to be removed. Cheers, Chris

RicardoMBorges commented 11 months ago

I see. Not a huge issue. In Brazil, we would say "pecando pelo acesso" (~sinning for excess). I´ll keep looking and considering this. Thanks

corinwagen commented 3 months ago

+1 here, looking for propanolol-like natural products and just keep getting... propanolol, and metabolites thereof