1.0 2010-04-08 22:09:49 UTC 2025-11-18 23:30:52 UTC FDB011774 2'-O-Methylglabridin Isolated from Glycyrrhiza glabra (licorice). 2'-O-Methylglabridin is found in tea and herbs and spices. 2'-O-Methylglabridin C21H22O4 338.397 338.151809192 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-3-methoxyphenol 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-3-methoxyphenol COC1=C(C=CC(O)=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1 InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(22)11-19(16)23-3/h4-9,11,14,22H,10,12H2,1-3H3 IIZFTELYWMLCKS-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-2-unsubstituted benzenoids 2'-O-methylated isoflavonoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Hydrocarbon derivatives Isoflavanols Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Pyranochromenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 2p-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Isoflavan Isoflavanol Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyranochromene Pyranoisoflavonoid logp 4.37 ALOGPS logs -5.09 ALOGPS solubility 2.75e-03 g/l ALOGPS melting_point Mp 124-126° logp 4.24 ChemAxon pka_strongest_acidic 9.71 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-3-methoxyphenol ChemAxon average_mass 338.397 ChemAxon mono_mass 338.151809192 ChemAxon smiles COC1=C(C=CC(O)=C1)C1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1 ChemAxon formula C21H22O4 ChemAxon inchi InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(22)11-19(16)23-3/h4-9,11,14,22H,10,12H2,1-3H3 ChemAxon inchikey IIZFTELYWMLCKS-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 97.84 ChemAxon polarizability 36.91 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10706 Specdb::CMs 43429 Specdb::CMs 154069 Specdb::MsMs 46584 Specdb::MsMs 46585 Specdb::MsMs 46586 Specdb::MsMs 141207 Specdb::MsMs 141208 Specdb::MsMs 141209 Specdb::MsMs 2842992 Specdb::MsMs 2842993 Specdb::MsMs 2842994 Specdb::MsMs 2865438 Specdb::MsMs 2865439 Specdb::MsMs 2865440 HMDB33671 #<Reference:0x000055ce31c7f560> 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