1.0 2016-05-22 03:36:08 UTC 2026-03-26 22:18:42 UTC Coumestrol SmallMolecule Coumestrol is an organic compound with the chemical formula C15H8O5 and an average molecular weight of 268.22 g/mol. Coumestrol belongs to the coumestans, a subclass of isoflavonoids within the organic compounds. It is further categorized under the superclass of phenylpropanoids and polyketides. The compound is found in or released from 16 recorded sources across several industrial and consumer sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among others. In the food, food processing and cookware sector, it is linked to food packaging, the treatment of hops, and the preparation of vinegar, wine, or sparkling wine. Its presence is also recorded in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Additionally, coumestrol is found in medical devices within the healthcare, pharmaceuticals and veterinary products sector, and in lubricants used in both industrial manufacturing, chemical processing, and the energy, oil and gas sectors. One further sector is also recorded. Exposure to this compound can occur through oral, inhalation, and touch routes. PFAS Phytotoxin Coumesterol C15H8O5 268.224 268.037173358 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one coumestrol 479-13-0 OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2 InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H ZZIALNLLNHEQPJ-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Isoflavonoids Coumestans Coumestans 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Angular furanocoumarins Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin Coumestan Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Aromatic heteropolycyclic compounds Coumestan flavonoids Coumestan flavonoids Coumestanes an isoflavone coumestans delta-lactone polyphenol Detected and Not Quantified logp 2.43 ALOGPS logs -2.98 ALOGPS solubility 2.81e-01 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_acidic 7.11 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one ChemAxon average_mass 268.224 ChemAxon mono_mass 268.037173358 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2 ChemAxon formula C15H8O5 ChemAxon inchi InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H ChemAxon inchikey ZZIALNLLNHEQPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 79.9 ChemAxon refractivity 69.62 ChemAxon polarizability 26.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224a897e0> 5281707 4445024