1.0 2016-05-22 05:09:26 UTC 2026-08-22 10:42:53 UTC Probucol SmallMolecule Probucol belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 516.84 g/mol, Probucol is a heavy molecule with the chemical formula C31H48O2S2. It functions as a biological antioxidant (PMC13440557, PMC4271727, PMC5989656, PMC7648605). In terms of health effects, the compound is used as a treatment for coronary artery disease (PMC4271727) and has a therapeutic effect on atherosclerosis (PMC11086401). Its protein targets include Liver carboxylesterase 1 (CES1) and the Phospholipid-transporting ATPase ABCA1, which it inhibits. Probucol is found in or released from ten recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as a lipid modifying agent. It is also associated with food preservation and fermentation processes for beer. Other recorded sources include household cleaning and consumer products, such as perfumes within detergents and soaps, tobacco smoke filters, and non-electric simulated smoking devices. Additionally, it is linked to electrical and electronic equipment, specifically antennas, conductors or conductive bodies characterised by the conductive materials, electrodes, and electrically stimulated smoking devices. The recorded route of exposure for this compound is oral. Tertiary butyl phenols C31H48O2S2 516.842 516.30957216 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol probucol 23288-49-5 CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3 FYPMFJGVHOHGLL-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Alkylarylthioethers Dithioketals Hydrocarbon derivatives Organooxygen compounds Phenols Sulfenyl compounds Thiophenol ethers Alkylarylthioether Aromatic homomonocyclic compound Aryl thioether Dithioketal Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organosulfur compound Phenol Phenylpropane Sulfenyl compound Thioacetal Thioether Thiophenol ether Aromatic homomonocyclic compounds dithioketal polyphenol Detected and Not Quantified Probucol Drug Metabolism Action Pathway SMP0143798 logp 10.57 logp 8.92 ALOGPS logs -7.09 ALOGPS solubility 4.18e-05 g/l ALOGPS logp 10.57 ChemAxon pka_strongest_acidic 10.29 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol ChemAxon average_mass 516.842 ChemAxon mono_mass 516.30957216 ChemAxon smiles CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C ChemAxon formula C31H48O2S2 ChemAxon inchi InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3 ChemAxon inchikey FYPMFJGVHOHGLL-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 159.26 ChemAxon polarizability 62.35 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72741b7630> DB01599 4912 4743 BE0000119 BE0002705