1.0 2010-04-08 22:10:37 UTC 2025-11-18 23:43:01 UTC FDB013274 Thymoquinone Major constituent of seed oil of black cumin, Nigella sativa (24%). Thymoquinone is found in herbs and spices and winter savory. 2-Isopropyl-5-methyl-1,4-benzoquinone 2-Isopropyl-5-methyl-p-benzoquinone 2-Isopropyl-5-methylbenzo-1,4-quinone 2-Isopropyl-5-methylbenzoquinone 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI 2-Methyl-5-isopropyl-1,4-benzoquinone 2-Methyl-5-isopropyl-p-benzoquinone 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)- 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl- 5-Isopropyl-2-methyl-1,4-benzoquinone 5-Isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 5-Isopropyl-2-methyl-p-benzoquinone p-Cymene-2,5-dione p-Mentha-3,6-diene-2,5-dione (8CI) Polythymoquinone Thymoil Thymolquinone Thymoquinon Thymoquinone C10H12O2 164.2011 164.083729628 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione thymoquinone 490-91-5 CC(C)C1=CC(=O)C(C)=CC1=O InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 KEQHJBNSCLWCAE-UHFFFAOYSA-N belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. P-benzoquinones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxide P-benzoquinone logp 2.00 ALOGPS logs -1.95 ALOGPS solubility 1.83e+00 g/l ALOGPS melting_point Mp 44-45° logp 2.55 ChemAxon pka_strongest_basic -7.7 ChemAxon iupac 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CC(C)C1=CC(=O)C(C)=CC1=O ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 ChemAxon inchikey KEQHJBNSCLWCAE-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 48.89 ChemAxon polarizability 17.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97896 Specdb::MsMs 97897 Specdb::MsMs 97898 Specdb::MsMs 162699 Specdb::MsMs 162700 Specdb::MsMs 162701 Specdb::MsMs 2815837 Specdb::MsMs 2815838 Specdb::MsMs 2815839 Specdb::MsMs 2893712 Specdb::MsMs 2893713 Specdb::MsMs 2893714 Specdb::CMs 15790 Specdb::CMs 131124 Specdb::CMs 138858 Specdb::MsIr 6668 Specdb::MsIr 6669 Specdb::NmrOneD 127418 Specdb::NmrOneD 127419 Specdb::NmrOneD 127420 Specdb::NmrOneD 127421 Specdb::NmrOneD 127422 Specdb::NmrOneD 127423 Specdb::NmrOneD 127424 Specdb::NmrOneD 127425 Specdb::NmrOneD 127426 Specdb::NmrOneD 127427 Specdb::NmrOneD 127428 Specdb::NmrOneD 127429 Specdb::NmrOneD 127430 Specdb::NmrOneD 127431 Specdb::NmrOneD 127432 Specdb::NmrOneD 127433 Specdb::NmrOneD 127434 Specdb::NmrOneD 127435 Specdb::NmrOneD 127436 Specdb::NmrOneD 127437 HMDB34732 IMW #<Reference:0x000055ce335974a8> #<Reference:0x000055ce33597228> #<Reference:0x000055ce33597070> #<Reference:0x000055ce33596e68> #<Reference:0x000055ce33596c38> Herbs and Spices Unknown generic Winter savory Type 1 specific Satureja montana 49988 3.8 3.8 3.8 mg/100 g Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti eicosanoid 249 A substance that diminishes the rate of a chemical reaction. Anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Anti-arthritic 131 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-asthmatic 134 A drug used to treat asthma. Anti-bronchitic 154 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-rheumatic 585 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. Choleretic 801 Cyclooxygenase inhibitor 849 A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. Lipoxygenase inhibitor 1077 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Toxic 1371 A role played by the molecular entity or part thereof which causes the development of a pathological process. Uricosuric 1396