1.0 2010-04-08 22:13:21 UTC 2019-11-26 03:15:21 UTC FDB017860 Gancaonin B Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin B is found in herbs and spices. 3',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone 5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone Gancaonin B C21H20O6 368.3799 368.125988372 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one gancaonin B 124596-86-7 COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3 YQEPOQVRUDADPH-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position. 6-prenylated isoflavanones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxy,4'-methoxyisoflavonoids 4'-O-methylisoflavones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxy,4'-methoxyisoflavonoid 4p-o-methylisoflavone 6-prenylated isoflavanone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Isoflavonoids logp 3.74 ALOGPS logs -4.41 ALOGPS solubility 1.45e-02 g/l ALOGPS melting_point Mp 206-209° logp 4.65 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 368.3799 ChemAxon mono_mass 368.125988372 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O ChemAxon formula C21H20O6 ChemAxon inchi InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3 ChemAxon inchikey YQEPOQVRUDADPH-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 102.39 ChemAxon polarizability 39.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14836 Specdb::CMs 45855 Specdb::CMs 171241 Specdb::MsMs 12059 Specdb::MsMs 12060 Specdb::MsMs 12061 Specdb::MsMs 18731 Specdb::MsMs 18732 Specdb::MsMs 18733 Specdb::MsMs 2320751 Specdb::MsMs 2320752 Specdb::MsMs 2320753 Specdb::MsMs 2613991 Specdb::MsMs 2613992 Specdb::MsMs 2613993 HMDB38488 #<Reference:0x000055ce300d6110> Herbs and Spices Unknown generic