1.0 2010-04-08 22:15:26 UTC 2019-11-26 03:19:50 UTC FDB021063 1-Methoxyphaseollin Constituent of the roots of Glycyrrhiza glabra (licorice). 1-Methoxyphaseollin is found in tea and herbs and spices. 1-Methoxyphaseollin C21H20O5 352.3805 352.13107375 6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol 6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol 157226-48-7 COC1=C(O)C=CC2=C1OCC1C2OC2=C1C=CC1=C2C=CC(C)(C)O1 InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3 JQFXBCOZQHXLQX-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan logp 3.95 ALOGPS logs -4.68 ALOGPS solubility 7.29e-03 g/l ALOGPS logp 3.41 ChemAxon pka_strongest_acidic 9.93 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol ChemAxon average_mass 352.3805 ChemAxon mono_mass 352.13107375 ChemAxon smiles COC1=C(O)C=CC2=C1OCC1C2OC2=C1C=CC1=C2C=CC(C)(C)O1 ChemAxon formula C21H20O5 ChemAxon inchi InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3 ChemAxon inchikey JQFXBCOZQHXLQX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 97.45 ChemAxon polarizability 37.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18806 Specdb::CMs 47155 Specdb::CMs 160870 Specdb::MsMs 307792 Specdb::MsMs 307793 Specdb::MsMs 307794 Specdb::MsMs 351826 Specdb::MsMs 351827 Specdb::MsMs 351828 Specdb::MsMs 2735138 Specdb::MsMs 2735139 Specdb::MsMs 2735140 Specdb::MsMs 2974599 Specdb::MsMs 2974600 Specdb::MsMs 2974601 HMDB41172 #<Reference:0x00007f093c165958> 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