thymoquinone thymoquinone thymoquinone is a phytochemical compound found in the plant nigella sativa. it is also found in select cultivated monarda fistulosa plants which can be steam distilled to produce an essential oil. thymoquinone names preferred iupac name 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione other names thymoquinone identifiers cas number 490-91-5 y 3d model (jsmol) interactive image chebi chebi:113532 chembl chembl1672002 n chemspider 9861 y echa infocard 100.007.020 pubchem cid 10281 unii o60ie26nuf y comptox dashboard (epa) dtxsid9060079 inchi inchi=1s/c10h12o2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6h,1-3h3 ykey: keqhjbnsclwcae-uhfffaoysa-n y smiles cc1=cc(=o)c(=cc1=o)c(c)c properties chemical formula c10h12o2 molar mass 164.204 g·mol−1 except where otherwise noted, data are given for materials in their standard state (at 25 °c , 100 kpa). n verify (what is yn ?) infobox references it has been classified as a pan-assay interference compound, which binds indiscriminately to many proteins. it is under preliminary research to identify its possible biological properties.