1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:44 UTC FDB012413 Repensol Isolated from fungus-infected Trifolium repens (white clover) leaves. Repensol is found in tea, herbs and spices, and green vegetables. 3,7,9-Trihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI 7,10,12-Trihydroxycoumestan Repensol Repensol3,7,9-Trihydroxycoumestan C15H8O6 284.2204 284.032087988 5,12,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one 5,12,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one 33280-69-2 OC1=CC2=C(C=C1)C1=C(C3=C(O)C=C(O)C=C3O1)C(=O)O2 InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)21-15(19)13-12-9(18)3-7(17)5-11(12)20-14(8)13/h1-5,16-18H CFUAZBGEKBTCSH-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 1-hydroxy-4-unsubstituted benzenoids 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 1-hydroxy-4-unsubstituted benzenoid 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 2.58 ALOGPS logs -2.49 ALOGPS solubility 9.13e-01 g/l ALOGPS melting_point Mp 346-348° logp 2.09 ChemAxon pka_strongest_acidic 7.07 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,12,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one ChemAxon average_mass 284.2204 ChemAxon mono_mass 284.032087988 ChemAxon smiles OC1=CC2=C(C=C1)C1=C(C3=C(O)C=C(O)C=C3O1)C(=O)O2 ChemAxon formula C15H8O6 ChemAxon inchi InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)21-15(19)13-12-9(18)3-7(17)5-11(12)20-14(8)13/h1-5,16-18H ChemAxon inchikey CFUAZBGEKBTCSH-UHFFFAOYSA-N ChemAxon polar_surface_area 100.13 ChemAxon refractivity 71.6 ChemAxon polarizability 27.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19636 Specdb::CMs 43729 Specdb::CMs 135402 Specdb::CMs 143136 Specdb::MsMs 97236 Specdb::MsMs 97237 Specdb::MsMs 97238 Specdb::MsMs 161919 Specdb::MsMs 161920 Specdb::MsMs 161921 Specdb::MsMs 2685429 Specdb::MsMs 2685430 Specdb::MsMs 2685431 Specdb::MsMs 3023661 Specdb::MsMs 3023662 Specdb::MsMs 3023663 HMDB34138 #<Reference:0x000055ce3062ed60> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442