1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:15 UTC FDB012132 Angelicin Constituent 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-one 2H-Furo[2,3-H]chromen-2-one 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone Angecin Angelecin Angelicin Bakuchicin Furo[2,3-h]coumarin Furo[5',4':7,8]coumarin Isopsoralen Isopsoralin C11H6O3 186.166 186.031694053 2H-furo[2,3-h]chromen-2-one angelicin 523-50-2 [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/h1-6H XDROKJSWHURZGO-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 Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Furanocoumarins a small molecule furanocoumarin logp 2.03 ALOGPS logs -3.10 ALOGPS solubility 1.48e-01 g/l ALOGPS melting_point Mp 138-139.5° logp 1.94 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2H-furo[2,3-h]chromen-2-one ChemAxon average_mass 186.166 ChemAxon mono_mass 186.031694053 ChemAxon smiles [H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H] ChemAxon formula C11H6O3 ChemAxon inchi InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H ChemAxon inchikey XDROKJSWHURZGO-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 50.39 ChemAxon polarizability 17.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5971 Specdb::CMs 151144 Specdb::EiMs 696 Specdb::MsIr 6351 Specdb::MsIr 6352 Specdb::MsMs 6950 Specdb::MsMs 6951 Specdb::MsMs 6952 Specdb::MsMs 13622 Specdb::MsMs 13623 Specdb::MsMs 13624 Specdb::MsMs 2289414 Specdb::MsMs 2289415 Specdb::MsMs 2289416 Specdb::MsMs 2650118 Specdb::MsMs 2650119 Specdb::MsMs 2650120 HMDB33930 28928 #<Reference:0x000055ce32cdc908> Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Coriander Type 1 specific Coriandrum sativum 4047 Fats and oils Unknown generic Fig Type 1 specific Ficus carica 3494 Green vegetables Unknown generic Herbs and Spices Unknown generic Parsnip Type 1 specific Pastinaca sativa 4041 3.4 3.4 3.4 mg/100 g Root vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045 Anti aflatoxin 92 A substance that diminishes the rate of a chemical reaction. Anti convulsant 204 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-flu 284 A substance that destroys or inhibits replication of viruses. Anti-mutagenic 451 Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Hypotensive 1021 Myorelaxant 1134 Photoactive 1218 Phototoxic 1222 Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.