1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:52 UTC FDB012477 Licorisoflavan A Constituent of Glycyrrhiza uralensis (Chinese licorice). Licorisoflavan A is found in herbs and spices. (+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan 2',4'-Dihydroxy-5,7-dimethoxy-3',6-diprenylisoflavan 5-O-Methyllicoricidin 7-O-Methylicoricidin 7-O-Methyllicoricidin LicorIIsoflavan a Licorisoflavan A C27H34O5 438.5559 438.240624198 4-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol licorisoflavan A 129314-37-0 COC1=CC2=C(CC(CO2)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C(OC)=C1CC=C(C)C InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3 GDAAEAXMNLVRCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 7-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Oxacyclic compounds Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-methoxyisoflavonoid-skeleton 7-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Isoflavans logp 5.31 ALOGPS logs -5.33 ALOGPS solubility 2.04e-03 g/l ALOGPS melting_point Mp 65-67° logp 6.33 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol ChemAxon average_mass 438.5559 ChemAxon mono_mass 438.240624198 ChemAxon smiles COC1=CC2=C(CC(CO2)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C(OC)=C1CC=C(C)C ChemAxon formula C27H34O5 ChemAxon inchi InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3 ChemAxon inchikey GDAAEAXMNLVRCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 130.37 ChemAxon polarizability 50.28 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20136 Specdb::CMs 43750 Specdb::CMs 170870 Specdb::MsMs 57408 Specdb::MsMs 57409 Specdb::MsMs 57410 Specdb::MsMs 113067 Specdb::MsMs 113068 Specdb::MsMs 113069 Specdb::MsMs 2696988 Specdb::MsMs 2696989 Specdb::MsMs 2696990 Specdb::MsMs 2981624 Specdb::MsMs 2981625 Specdb::MsMs 2981626 HMDB34184 #<Reference:0x000055ce32328650> Herbs and Spices Unknown generic