1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:07 UTC FDB013827 Semilicoisoflavone B Constituent of licorice (Glycyrrhiza species). Semilicoisoflavone B is found in root vegetables. 5,7-Dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one 5,7-Dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one, 9CI 5,7,8'-Trihydroxy-2',2'-dimethyl-2'h-(3,6')bi(1-benzopyranyl)-4-one C20H16O6 352.3374 352.094688244 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-4H-chromen-4-one semilicoisoflavone B 129280-33-7 CC1(C)OC2=C(O)C=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3 LWZACZCRAUQSLH-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. Pyranoisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranoisoflavonoid Pyranone Vinylogous acid 7-hydroxyisoflavones Isoflavonoids logp 4.03 ALOGPS logs -4.40 ALOGPS solubility 1.40e-02 g/l ALOGPS melting_point Mp 131-134° logp 3.98 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-4H-chromen-4-one ChemAxon average_mass 352.3374 ChemAxon mono_mass 352.094688244 ChemAxon smiles CC1(C)OC2=C(O)C=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C20H16O6 ChemAxon inchi InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3 ChemAxon inchikey LWZACZCRAUQSLH-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 96.08 ChemAxon polarizability 36.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20396 Specdb::CMs 44239 Specdb::CMs 149521 Specdb::MsMs 12839 Specdb::MsMs 12840 Specdb::MsMs 12841 Specdb::MsMs 19511 Specdb::MsMs 19512 Specdb::MsMs 19513 Specdb::MsMs 374657 Specdb::MsMs 451290 Specdb::MsMs 2282176 Specdb::MsMs 2282177 Specdb::MsMs 2282178 Specdb::MsMs 3086134 Specdb::MsMs 3086135 Specdb::MsMs 3086136 HMDB35184 #<Reference:0x000055ce30672240> Root vegetables Unknown generic