1.0 2010-04-08 22:05:00 UTC 2025-11-18 22:31:44 UTC FDB001509 Peucedanin Peucedanin, also known as 2-isopropyl-3-methoxy-7h-furo[3,2-g]chromen-7-one or 4-methoxy-5-isopropylfuro(2,3:6,7)coumarin, 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. Peucedanin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Peucedanin can be found in carrot, chervil, and wild carrot, which makes peucedanin a potential biomarker for the consumption of these food products. 3-Methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-isopropyl-3-methoxy- Oreoselone methyl ether Peutsedin C15H14O4 258.2693 258.089208936 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one peucedanin 133-26-6 COC1=C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)C InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3 YQBNJPACAUPNLV-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 Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Furanocoumarins aromatic ether furanocoumarin lactone logp 3.41 ALOGPS logs -3.91 ALOGPS solubility 3.17e-02 g/l ALOGPS melting_point 85 oC logp 2.87 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 258.2693 ChemAxon mono_mass 258.089208936 ChemAxon smiles COC1=C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)C ChemAxon formula C15H14O4 ChemAxon inchi InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3 ChemAxon inchikey YQBNJPACAUPNLV-UHFFFAOYSA-N ChemAxon polar_surface_area 48.67 ChemAxon refractivity 71 ChemAxon polarizability 27.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66375 Specdb::MsMs 66376 Specdb::MsMs 66377 Specdb::MsMs 123924 Specdb::MsMs 123925 Specdb::MsMs 123926 Specdb::MsMs 3597631 Specdb::MsMs 3597632 Specdb::MsMs 3597633 Specdb::MsMs 3597634 Specdb::MsMs 3597635 Specdb::MsMs 3597636 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Chervil Type 1 specific Anthriscus cerefolium 40888 Wild carrot Type 1 specific Daucus carota 4039