1.0 2016-05-20 16:15:30 UTC 2026-08-19 04:52:16 UTC 4,5',8-Trimethylpsoralen SmallMolecule 4,5',8-Trimethylpsoralen is an organic compound with the chemical formula C14H12O3 and an average molecular weight of 228.24 g/mol. 4,5',8-Trimethylpsoralen belongs to the furanocoumarins, a subclass of coumarins and derivatives within the organic compounds. It is further classified within the superclass of phenylpropanoids and polyketides. The compound is associated with 29 recorded sources across diverse sectors. In the realm of healthcare, pharmaceuticals, and veterinary products, it is utilized as an antipsoriatic. It is found in building and construction materials, specifically tents or canopies. Within the food, food processing, and cookware sector, it is linked to food preservation, the preparation of vinegar, the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer. Its presence is also recorded in household cleaning and consumer products, including bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and three additional sources. Furthermore, it is found in electrical and electronic equipment, including amplifiers, antennas, electric switches, cores yokes or armatures, conductors or conductive bodies characterised by the conductive materials, and eight other sources. The recorded exposure route for this compound is oral. 4,8,5'-Trimethylpsoralen Trioxsalen C14H12O3 228.2433 228.07864425 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one trioxsalen 3902-71-4 CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3 FMHHVULEAZTJMA-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Psoralens 1-benzopyrans Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Aromatic heteropolycyclic compounds Furanocoumarins psoralens Detected and Not Quantified Trioxsalen Drug Metabolism SMP0130737 Trioxsalen Drug Metabolism Action Pathway SMP0143894 logp 2.95 logp 3.26 ALOGPS logs -3.56 ALOGPS solubility 6.27e-02 g/l ALOGPS logp 2.95 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 228.2433 ChemAxon mono_mass 228.07864425 ChemAxon smiles CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 ChemAxon formula C14H12O3 ChemAxon inchi InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3 ChemAxon inchikey FMHHVULEAZTJMA-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 64.86 ChemAxon polarizability 24.77 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf385c128> DB04571 5585 5383