1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:39 UTC FDB017324 (R)-Hispaglabridin A Isolated from Glycyrrhiza glabra (licorice). (R)-Hispaglabridin A is found in tea and herbs and spices. Hispaglabridin A C25H28O4 392.4874 392.198759384 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol 68978-03-0 CC(C)=CCC1=C(O)C=CC(C2COC3=C(C2)C=CC2=C3C=CC(C)(C)O2)=C1O InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3 HZHXMXSXYQCAIG-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 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzene and substituted derivatives Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Oxacyclic compounds Pyranochromenes Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyranochromene Pyranoisoflavonoid Resorcinol logp 5.18 ALOGPS logs -5.54 ALOGPS solubility 1.14e-03 g/l ALOGPS melting_point Mp 132-133° logp 5.82 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-{12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-5-yl}-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol ChemAxon average_mass 392.4874 ChemAxon mono_mass 392.198759384 ChemAxon smiles CC(C)=CCC1=C(O)C=CC(C2COC3=C(C2)C=CC2=C3C=CC(C)(C)O2)=C1O ChemAxon formula C25H28O4 ChemAxon inchi InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3 ChemAxon inchikey HZHXMXSXYQCAIG-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 117.6 ChemAxon polarizability 44.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24796 Specdb::CMs 45678 Specdb::CMs 149955 Specdb::MsMs 88314 Specdb::MsMs 88315 Specdb::MsMs 88316 Specdb::MsMs 151011 Specdb::MsMs 151012 Specdb::MsMs 151013 Specdb::MsMs 2436502 Specdb::MsMs 2436503 Specdb::MsMs 2436504 Specdb::MsMs 2526555 Specdb::MsMs 2526556 Specdb::MsMs 2526557 HMDB38102 #<Reference:0x000055ce32311590> 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