1.0 2010-04-08 22:05:32 UTC 2019-11-26 02:58:00 UTC FDB002802 Apiumetin (r)-apiumetin 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 (r)-apiumetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (r)-apiumetin can be found in green vegetables, which makes (r)-apiumetin a potential biomarker for the consumption of this food product. 2,3-Dihydro-9-hydroxy-2-(1-methylethenyl)-7H-furo[3,2-g][1]benzopyran-7-one, 9CI Leptophyllidin C14H12O4 244.2427 244.073558872 9-hydroxy-2-(prop-1-en-2-yl)-7H-furo[3,2-g]chromen-7-one 9-hydroxy-2-(prop-1-en-2-yl)furo[3,2-g]chromen-7-one 70610-24-1 CC(=C)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3 VIUKEEZPYOJNOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group. 8-hydroxypsoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-4-unsubstituted benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 8-hydroxypsoralen Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 3.25 ChemAxon pka_strongest_acidic 8.26 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-hydroxy-2-(prop-1-en-2-yl)-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 244.2427 ChemAxon mono_mass 244.073558872 ChemAxon smiles CC(=C)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 ChemAxon formula C14H12O4 ChemAxon inchi InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3 ChemAxon inchikey VIUKEEZPYOJNOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 59.67 ChemAxon refractivity 66.22 ChemAxon polarizability 24.91 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Wild celery Type 1 specific Apium graveolens 4045