1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:31 UTC FDB012284 Lucernol Constituent of alfalfa (Medicago sativa). Lucernol is found in alfalfa and pulses. 2,3-Dimethoxy-alpha-methyl-benzeneethanamine 2,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one 2,3,9-Trihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI 6,7,12-Trihydroxycoumestan 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy- Benzeneethanamine, 2,3-dimethoxy-alpha-methyl- Lucernol C15H8O6 284.2204 284.032087988 4,5,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one 4,5,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one 15402-22-9 OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C(O)=C2 InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H CJPXZAMCIOOMNF-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 6,7-dihydroxycoumarins Angular furanocoumarins Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 6,7-dihydroxycoumarin Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin Coumestan Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Coumestan flavonoids logp 2.68 ALOGPS logs -2.55 ALOGPS solubility 7.94e-01 g/l ALOGPS melting_point Mp 350° logp 2.09 ChemAxon pka_strongest_acidic 7.22 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4,5,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one ChemAxon average_mass 284.2204 ChemAxon mono_mass 284.032087988 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C(O)=C2 ChemAxon formula C15H8O6 ChemAxon inchi InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H ChemAxon inchikey CJPXZAMCIOOMNF-UHFFFAOYSA-N ChemAxon polar_surface_area 100.13 ChemAxon refractivity 71.6 ChemAxon polarizability 27.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15553 Specdb::CMs 43672 Specdb::CMs 175162 Specdb::MsMs 109698 Specdb::MsMs 109699 Specdb::MsMs 109700 Specdb::MsMs 177198 Specdb::MsMs 177199 Specdb::MsMs 177200 Specdb::MsMs 2470380 Specdb::MsMs 2470381 Specdb::MsMs 2470382 Specdb::MsMs 2494715 Specdb::MsMs 2494716 Specdb::MsMs 2494717 HMDB34042 #<Reference:0x000055ce3176d590> Alfalfa Type 1 specific Medicago sativa 3879 Pulses Unknown generic