1.02010-04-08 22:10:00 UTC2019-11-26 03:06:15 UTCFDB012132AngelicinConstituent of roots and leaves of angelica (Angelica archangelica). Found in roots and on surface of parsnips and diseased celery
Angelicin is a furanocoumarin. It can be found in Bituminaria bituminosa. It is present in the list of IARC Group 3 carcinogens (Angelicin plus ultraviolet A radiation).2H-Furo[2,3-H]-1-benzopyran-2-one2H-Furo[2,3-H]chromen-2-one3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone4-Hydroxy-5-benzofuranacrylic acid gamma-lactoneAngecinAngelecinAngelicinBakuchicinFuro[2,3-h]coumarinFuro[5',4':7,8]coumarinIsopsoralenIsopsoralinC11H6O3186.166186.0316940532H-furo[2,3-h]chromen-2-oneangelicin523-50-2[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H]InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HXDROKJSWHURZGO-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 furanocoumarinsOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesFuranocoumarinsAromatic heteropolycyclic compounds1-benzopyransBenzenoidsBenzofuransFuransHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPyranones and derivatives1-benzopyranAngular furanocoumarinAromatic heteropolycyclic compoundBenzenoidBenzofuranBenzopyranFuranHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranoneFuranocoumarinsa small moleculefuranocoumarinlogp2.03logs-3.10solubility1.48e-01 g/lmelting_pointMp 138-139.5°logp1.94pka_strongest_basic-2.9iupac2H-furo[2,3-h]chromen-2-oneaverage_mass186.166mono_mass186.031694053smiles[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H]formulaC11H6O3inchiInChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HinchikeyXDROKJSWHURZGO-UHFFFAOYSA-Npolar_surface_area39.44refractivity50.39polarizability17.93rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs696Specdb::MsIr6351Specdb::MsIr6352Specdb::CMs5971Specdb::CMs151144Specdb::MsMs6950Specdb::MsMs6951Specdb::MsMs6952Specdb::MsMs13622Specdb::MsMs13623Specdb::MsMs13624Specdb::MsMs2289414Specdb::MsMs2289415Specdb::MsMs2289416Specdb::MsMs2650118Specdb::MsMs2650119Specdb::MsMs2650120HMDB3393028928#<Reference:0x0000555674440758>CeleriacType 1specificApium graveolens var. rapaceum278110CorianderType 1specificCoriandrum sativum4047Fats and oilsUnknowngenericFigType 1specificFicus carica3494Green vegetablesUnknowngenericHerbs and SpicesUnknowngenericParsnipType 1specificPastinaca sativa40413.43.43.4mg/100 gRoot vegetablesUnknowngenericWild celeryType 1specificApium graveolens4045anti aflatoxin92A substance that diminishes the rate of a chemical reaction.anti convulsant204Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti flu284A substance that destroys or inhibits replication of viruses.anti mutagenic451anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti viral689A substance that destroys or inhibits replication of viruses.central nervous system depressant812A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.cytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.hepatoprotective981Any compound that is able to prevent damage to the liver.hypotensive1021myorelaxant1134photoactive1218phototoxic1222sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.