1.0 2010-04-08 22:06:42 UTC 2025-11-18 22:59:22 UTC FDB005493 Psoberan Psoberan can be found in fig, which makes psoberan a potential biomarker for the consumption of this food product. Psoralen & bergapten Psorberan C23H14O7 402.3531 402.073952802 4-methoxy-7H-furo[3,2-g]chromen-7-one; 7H-furo[3,2-g]chromen-7-one bergapten; psoralen O=C1OC2=CC3=C(C=CO3)C=C2C=C1.COC1=C2C=CC(=O)OC2=CC2=C1C=CO2 InChI=1S/C12H8O4.C11H6O3/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9;12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h2-6H,1H3;1-6H IAMQACMBFNNMJC-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. 5-methoxypsoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins 1-benzopyrans Alkyl aryl ethers Anisoles Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 5-methoxypsoralen Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.78 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-methoxy-7H-furo[3,2-g]chromen-7-one; 7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 402.3531 ChemAxon mono_mass 402.073952802 ChemAxon smiles O=C1OC2=CC3=C(C=CO3)C=C2C=C1.COC1=C2C=CC(=O)OC2=CC2=C1C=CO2 ChemAxon formula C23H14O7 ChemAxon inchi InChI=1S/C12H8O4.C11H6O3/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9;12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h2-6H,1H3;1-6H ChemAxon inchikey IAMQACMBFNNMJC-UHFFFAOYSA-N ChemAxon polar_surface_area 48.67 ChemAxon refractivity 56.85 ChemAxon polarizability 20.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83565 Specdb::MsMs 83566 Specdb::MsMs 83567 Specdb::MsMs 145188 Specdb::MsMs 145189 Specdb::MsMs 145190 Fig Type 1 specific Ficus carica 3494