1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:24 UTC FDB001884 4',5'-Dihydropsoralen 4',5'-dihydropsoralen is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. 4',5'-dihydropsoralen is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4',5'-dihydropsoralen can be found in fig, which makes 4',5'-dihydropsoralen a potential biomarker for the consumption of this food product. 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro- C11H8O3 188.1794 188.047344122 2H,3H,7H-furo[3,2-g]chromen-7-one 2H,3H-furo[3,2-g]chromen-7-one 7535-48-0 O=C1OC2=CC3=C(CCO3)C=C2C=C1 InChI=1S/C11H8O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-2,5-6H,3-4H2 VXGRJERITKFWPL-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Coumarans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone logp 1.91 ALOGPS logs -3.02 ALOGPS solubility 1.81e-01 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 188.1794 ChemAxon mono_mass 188.047344122 ChemAxon smiles O=C1OC2=CC3=C(CCO3)C=C2C=C1 ChemAxon formula C11H8O3 ChemAxon inchi InChI=1S/C11H8O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-2,5-6H,3-4H2 ChemAxon inchikey VXGRJERITKFWPL-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 51.32 ChemAxon polarizability 18.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44859 Specdb::MsMs 44860 Specdb::MsMs 44861 Specdb::MsMs 129576 Specdb::MsMs 129577 Specdb::MsMs 129578 Specdb::MsMs 3598918 Specdb::MsMs 3598919 Specdb::MsMs 3598920 Specdb::MsMs 3598921 Specdb::MsMs 3598922 Specdb::MsMs 3598923 Fig Type 1 specific Ficus carica 3494