1.0 2010-04-08 22:09:56 UTC 2019-11-26 03:05:54 UTC FDB011998 Medicagol Found in alfalfa (Medicago sativa) having viral leaf spot infectionsand is also from Cicer arietinum (chick pea) and Trifolium pratense (red clover). 3-Hydroxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]-benzopyran-6-one, 9CI 3-Hydroxy-8,9-methylenedioxycoumestan 7-Hydroxy-11,12-methylenedioxycoumestan 7-Hydroxy-5',6'-methylenedioxybenzofurano[3',2':3,4]coumarin C16H8O6 296.2311 296.032087988 16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one medicagol 1983-72-8 OC1=CC2=C(C=C1)C1=C(C3=CC4=C(OCO4)C=C3O1)C(=O)O2 InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2 URMVEUAWRUQHON-UHFFFAOYSA-N belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan. Coumestans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Coumestans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Acetals Angular furanocoumarins Benzodioxoles Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Coumarin Coumestan Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Coumestan flavonoids logp 2.45 ALOGPS logs -2.91 ALOGPS solubility 3.68e-01 g/l ALOGPS melting_point Mp 324-325° (337°) logp 2.32 ChemAxon pka_strongest_acidic 7.12 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one ChemAxon average_mass 296.2311 ChemAxon mono_mass 296.032087988 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(C3=CC4=C(OCO4)C=C3O1)C(=O)O2 ChemAxon formula C16H8O6 ChemAxon inchi InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2 ChemAxon inchikey URMVEUAWRUQHON-UHFFFAOYSA-N ChemAxon polar_surface_area 78.13 ChemAxon refractivity 73.41 ChemAxon polarizability 29.02 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16944 Specdb::CMs 43529 Specdb::CMs 133667 Specdb::CMs 141401 Specdb::MsMs 74568 Specdb::MsMs 74569 Specdb::MsMs 74570 Specdb::MsMs 133992 Specdb::MsMs 133993 Specdb::MsMs 133994 Specdb::MsMs 3051572 Specdb::MsMs 3051573 Specdb::MsMs 3051574 Specdb::MsMs 3119701 Specdb::MsMs 3119702 Specdb::MsMs 3119703 HMDB33831 #<Reference:0x000055ce316c9bc0> Alfalfa Type 1 specific Medicago sativa 3879 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Chickpea Type 1 specific Cicer arietinum 3827 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 Anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.