1.0 2010-04-08 22:09:58 UTC 2019-11-26 03:06:03 UTC FDB012043 Glyzaglabrin Isolated from root of Glycyrrhiza glabra (licorice). Glyzaglabrin is found in tea and herbs and spices. 2',7-Dihydroxy-3',4'-methylenedioxyisoflavone 7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone Glyzaglabrin C16H10O6 298.247 298.047738052 7-hydroxy-3-(4-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one glyzaglabrin 65242-64-0 OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=C(O)C2=C(OCO2)C=C1 InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2 GRMSSCUVELGNHC-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzodioxoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Isoflavonoids logp 2.71 ALOGPS logs -3.28 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 2.35 ChemAxon pka_strongest_acidic 6.47 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 7-hydroxy-3-(4-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one ChemAxon average_mass 298.247 ChemAxon mono_mass 298.047738052 ChemAxon smiles OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=C(O)C2=C(OCO2)C=C1 ChemAxon formula C16H10O6 ChemAxon inchi InChI=1S/C16H10O6/c17-8-1-2-10-13(5-8)20-6-11(14(10)18)9-3-4-12-16(15(9)19)22-7-21-12/h1-6,17,19H,7H2 ChemAxon inchikey GRMSSCUVELGNHC-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 75.47 ChemAxon polarizability 29.02 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15913 Specdb::CMs 43543 Specdb::CMs 166468 Specdb::MsMs 48084 Specdb::MsMs 48085 Specdb::MsMs 48086 Specdb::MsMs 175596 Specdb::MsMs 175597 Specdb::MsMs 175598 Specdb::MsMs 2705300 Specdb::MsMs 2705301 Specdb::MsMs 2705302 Specdb::MsMs 3003232 Specdb::MsMs 3003233 Specdb::MsMs 3003234 HMDB33859 #<Reference:0x000055ce31f297c0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442