1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:39 UTC FDB012809 3'-Hydroxy-4'-methoxyglabridin Isolated from Glycyrrhiza glabra (licorice). 3'-Hydroxy-4'-methoxyglabridin is found in tea and herbs and spices. 3'-Hydroxy-4'-methoxyglabridin 3'-Methoxyglabridin C21H22O5 354.3964 354.146723814 3-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-6-methoxybenzene-1,2-diol 3-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-6-methoxybenzene-1,2-diol 74046-05-2 COC1=C(O)C(O)=C(C=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1 InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3 PPBISUGOQDBBEL-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-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 3'-hydroxy,4'-methoxyisoflavonoids Alkyl aryl ethers Anisoles Catechols Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Pyranochromenes 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3'-hydroxy,4'-methoxyisoflavonoid 4p-methoxyisoflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyranochromene Pyranoisoflavonoid logp 3.76 ALOGPS logs -4.50 ALOGPS solubility 1.11e-02 g/l ALOGPS melting_point Mp 104-105° logp 3.93 ChemAxon pka_strongest_acidic 9.81 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-6-methoxybenzene-1,2-diol ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles COC1=C(O)C(O)=C(C=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1 ChemAxon formula C21H22O5 ChemAxon inchi InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3 ChemAxon inchikey PPBISUGOQDBBEL-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 99.82 ChemAxon polarizability 37.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74205 Specdb::MsMs 74206 Specdb::MsMs 74207 Specdb::MsMs 133521 Specdb::MsMs 133522 Specdb::MsMs 133523 Specdb::MsMs 2364235 Specdb::MsMs 2364236 Specdb::MsMs 2364237 Specdb::MsMs 2602181 Specdb::MsMs 2602182 Specdb::MsMs 2602183 Specdb::CMs 9999 Specdb::CMs 43866 Specdb::CMs 170408 HMDB34414 #<Reference:0x000055ce3301d6a8> 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