1.0 2010-04-08 22:13:17 UTC 2019-11-26 03:15:09 UTC FDB017747 Gancaonin D Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin D is found in herbs and spices. 3',5,7-Trihydroxy-4'-methoxy-8-(4-hydroxyprenyl)isoflavone Gancaonin D C21H20O7 384.3793 384.120902994 5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one gancaonin D 124596-88-9 COC1=C(O)C=C(C=C1)C1=COC2=C(C\C=C(/C)CO)C(O)=CC(O)=C2C1=O InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+ UCKSAYIMWMIZQJ-QDEBKDIKSA-N belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. 3'-hydroxy,4'-methoxyisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-O-methylisoflavones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Primary alcohols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxy,4'-methoxyisoflavonoid 4p-o-methylisoflavone Alcohol 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 Primary alcohol Pyran Pyranone Vinylogous acid Isoflavonoids logp 3.02 ALOGPS logs -4.45 ALOGPS solubility 1.36e-02 g/l ALOGPS melting_point Mp 234-236° logp 3.37 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=COC2=C(C\C=C(/C)CO)C(O)=CC(O)=C2C1=O ChemAxon formula C21H20O7 ChemAxon inchi InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+ ChemAxon inchikey UCKSAYIMWMIZQJ-QDEBKDIKSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 104.16 ChemAxon polarizability 40.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18947 Specdb::CMs 45799 Specdb::CMs 149497 Specdb::MsMs 105195 Specdb::MsMs 105196 Specdb::MsMs 105197 Specdb::MsMs 171648 Specdb::MsMs 171649 Specdb::MsMs 171650 Specdb::MsMs 2401844 Specdb::MsMs 2401845 Specdb::MsMs 2401846 Specdb::MsMs 2533977 Specdb::MsMs 2533978 Specdb::MsMs 2533979 HMDB38396 #<Reference:0x000055ce318fdbd0> Herbs and Spices Unknown generic