1.0 2010-04-08 22:04:41 UTC 2025-11-18 22:21:37 UTC FDB000714 Pimpinellidine Aglycone from hydrolysis of leaves and stems of Lycopersicon pimpinellifolium (currant tomato). Pimpinellidine is found in garden tomato. C13H10O5 246.218 246.052823422 5,6-dimethoxy-2H-furo[2,3-h]chromen-2-one pimpinellin 131-12-4 COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2 InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 BQPRWZCEKZLBHL-UHFFFAOYSA-N belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Angular furanocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Angular furanocoumarin 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 Furanocoumarins a coumarin furanocoumarin logp 2.00 ALOGPS logs -3.20 ALOGPS solubility 1.55e-01 g/l ALOGPS melting_point Mp 172-173° logp 1.63 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 5,6-dimethoxy-2H-furo[2,3-h]chromen-2-one ChemAxon average_mass 246.218 ChemAxon mono_mass 246.052823422 ChemAxon smiles COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2 ChemAxon formula C13H10O5 ChemAxon inchi InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 ChemAxon inchikey BQPRWZCEKZLBHL-UHFFFAOYSA-N ChemAxon polar_surface_area 57.9 ChemAxon refractivity 63.32 ChemAxon polarizability 23.88 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5700 Specdb::MsMs 50685 Specdb::MsMs 50686 Specdb::MsMs 50687 Specdb::MsMs 126360 Specdb::MsMs 126361 Specdb::MsMs 126362 Specdb::MsMs 3597157 Specdb::MsMs 3597158 Specdb::MsMs 3597159 Specdb::MsMs 3597160 Specdb::MsMs 3597161 Specdb::MsMs 3597162 Garden tomato Type 1 specific Solanum lycopersicum 4081