1.02010-04-08 22:05:00 UTC2019-11-26 02:56:32 UTCFDB001509PeucedaninPeucedanin, 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-one4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin7H-Furo(3,2-g)(1)benzopyran-7-one, 2-isopropyl-3-methoxy-Oreoselone methyl etherPeutsedinC15H14O4258.2693258.0892089363-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-onepeucedanin133-26-6COC1=C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)CInChI=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,1-3H3YQBNJPACAUPNLV-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.PsoralensOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesFuranocoumarinsAromatic heteropolycyclic compounds1-benzopyransAlkyl aryl ethersBenzenoidsBenzofuransFuransHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyranAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzofuranBenzopyranEtherFuranHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePsoralenPyranPyranoneFuranocoumarinsaromatic etherfuranocoumarinlactonelogp3.41logs-3.91solubility3.17e-02 g/lmelting_point85 oClogp2.87pka_strongest_basic-2.3iupac3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-oneaverage_mass258.2693mono_mass258.089208936smilesCOC1=C(OC2=CC3=C(C=CC(=O)O3)C=C12)C(C)CformulaC15H14O4inchiInChI=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,1-3H3inchikeyYQBNJPACAUPNLV-UHFFFAOYSA-Npolar_surface_area48.67refractivity71polarizability27.55rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsMs66375Specdb::MsMs66376Specdb::MsMs66377Specdb::MsMs123924Specdb::MsMs123925Specdb::MsMs123926Specdb::MsMs3597631Specdb::MsMs3597632Specdb::MsMs3597633Specdb::MsMs3597634Specdb::MsMs3597635Specdb::MsMs3597636CarrotType 1specificDaucus carota ssp. sativus79200ChervilType 1specificAnthriscus cerefolium40888Wild carrotType 1specificDaucus carota4039