1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:04 UTC FDB018367 Gancaonin M Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin M is found in herbs and spices. 5,7-Dihydroxy-4'-methoxy-8-prenylisoflavone Gancanin M Gancaonin M C21H20O5 352.3805 352.13107375 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one gancanin M 129145-51-3 COC1=CC=C(C=C1)C1=COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3 DDLPIQXHEKZHQX-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone. 4'-O-methylisoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Isoflavonoids logp 4.26 ALOGPS logs -4.66 ALOGPS solubility 7.67e-03 g/l ALOGPS melting_point Mp 139-141° logp 4.95 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 352.3805 ChemAxon mono_mass 352.13107375 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=C(CC=C(C)C)C(O)=CC(O)=C2C1=O ChemAxon formula C21H20O5 ChemAxon inchi InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3 ChemAxon inchikey DDLPIQXHEKZHQX-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 100.41 ChemAxon polarizability 38.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46656 Specdb::MsMs 46657 Specdb::MsMs 46658 Specdb::MsMs 136701 Specdb::MsMs 136702 Specdb::MsMs 136703 Specdb::MsMs 2303268 Specdb::MsMs 2303269 Specdb::MsMs 2303270 Specdb::MsMs 3065456 Specdb::MsMs 3065457 Specdb::MsMs 3065458 Specdb::CMs 17319 Specdb::CMs 46136 Specdb::CMs 135900 Specdb::CMs 143634 HMDB38903 #<Reference:0x000055ce3232ba80> Herbs and Spices Unknown generic