1.0 2016-05-22 03:59:55 UTC 2026-05-14 19:04:51 UTC Silybin SmallMolecule Silybin is an organic compound with the formula C25H22O10 and an average molecular weight of 482.44 g/mol. Silybin belongs to the flavonolignans, a class of lignans, neolignans and related compounds within the organic compounds. In biological contexts, the compound acts as an antioxidant (PMC10975324, PMC2767273) and an iron chelator (PMC12630495). It serves as an inhibitor of the protein Polyunsaturated fatty acid 5-lipoxygenase (ALOX5) and has a therapeutic effect on inflammation (PMC9117022). Industrially, silybin is utilized as a softener and conditioner. The compound is found in or released from 20 recorded sources across several sectors. These include healthcare, pharmaceuticals and veterinary products via medical devices; energy, oil and gas through lubricants; and textiles, leather and furnishings, specifically carpets, rugs, and synthetic textiles. It is also present in household cleaning and consumer products, such as soap detergents, tobacco smoke filters, and perfumes within detergents and soaps. Within the food, food processing and cookware sector, it is associated with food preservation, food packaging, the preparation of vinegar, and fermentation processes for beer. Additionally, it is found in electrical and electronic equipment, including batteries, capacitors, printed circuit boards, cell phones, and wires and cables, among two other sectors. Recorded exposure routes for silybin include oral, inhalation, and touch. PFAS Silibinin C25H22O10 482.441 482.121296908 (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one silibinin 22888-70-6 [H][C@@]1(OC2=C(O[C@@H]1CO)C=CC(=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1 InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 SEBFKMXJBCUCAI-HKTJVKLFSA-N Organic compounds Phenylpropanoids and polyketides Stilbenes Stilbenes Aromatic hydrocarbons Cyclic olefins Styrenes Aromatic homomonocyclic compound Aromatic hydrocarbon Benzenoid Cyclic olefin Hydrocarbon Monocyclic benzene moiety Olefin Stilbene Styrene Unsaturated hydrocarbon Aromatic homomonocyclic compounds stilbene Detected and Not Quantified logp 2.63 logp 2.35 ALOGPS logs -3.72 ALOGPS solubility 9.26e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 7.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 482.441 ChemAxon mono_mass 482.121296908 ChemAxon smiles [H][C@@]1(OC2=C(O[C@@H]1CO)C=CC(=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1 ChemAxon formula C25H22O10 ChemAxon inchi InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 ChemAxon inchikey SEBFKMXJBCUCAI-HKTJVKLFSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 120.29 ChemAxon polarizability 48.41 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227bb4748> DB09298 5213 5024 BE0000248