1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:30 UTC FDB012265 Sojagol Isol. from soya (leaves and hypocotyls) and from mung beans (Phaseolus aureus). Sojagol is found in soy bean and pulses. 2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-furo[2,3-c:5,4-f']bis[1]benzopyran-7-one, 9CI Soyagol C20H16O5 336.338 336.099773622 7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one sojagol 18979-00-5 CC1(C)CCC2=C(O1)C=CC1=C2OC2=C1C(=O)OC1=C2C=CC(O)=C1 InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3 GSAVLDZAGYKJSO-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-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Angular furanocoumarins Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumarin Coumestan Ether Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Coumestan flavonoids Coumestan flavonoids Coumestanes coumestans delta-lactone phenols logp 4.36 ALOGPS logs -4.07 ALOGPS solubility 2.84e-02 g/l ALOGPS melting_point Mp 284-286° logp 3.72 ChemAxon pka_strongest_acidic 7.14 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one ChemAxon average_mass 336.338 ChemAxon mono_mass 336.099773622 ChemAxon smiles CC1(C)CCC2=C(O1)C=CC1=C2OC2=C1C(=O)OC1=C2C=CC(O)=C1 ChemAxon formula C20H16O5 ChemAxon inchi InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3 ChemAxon inchikey GSAVLDZAGYKJSO-UHFFFAOYSA-N ChemAxon polar_surface_area 68.9 ChemAxon refractivity 91.07 ChemAxon polarizability 35.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10737 Specdb::CMs 43662 Specdb::CMs 158305 Specdb::MsMs 93153 Specdb::MsMs 93154 Specdb::MsMs 93155 Specdb::MsMs 156882 Specdb::MsMs 156883 Specdb::MsMs 156884 Specdb::MsMs 2458067 Specdb::MsMs 2458068 Specdb::MsMs 2458069 Specdb::MsMs 2481070 Specdb::MsMs 2481071 Specdb::MsMs 2481072 HMDB34027 #<Reference:0x000055ce32fa97f8> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847