1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:04 UTC FDB018369 Isoangustone A Isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Isoangustone A is found in herbs and spices. 3-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI 5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone Isoangustone A C25H26O6 422.4703 422.172938564 3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one isoangustone A 129280-34-8 CC(C)=CCC1=CC(=CC(O)=C1O)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 QNLGNISMYMFVHP-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position. 6-prenylated isoflavanones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Catechols Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 6-prenylated isoflavanone Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Isoflavonoids logp 4.60 ALOGPS logs -4.86 ALOGPS solubility 5.82e-03 g/l ALOGPS melting_point Mp 191-193° logp 6.23 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 422.4703 ChemAxon mono_mass 422.172938564 ChemAxon smiles CC(C)=CCC1=CC(=CC(O)=C1O)C1=COC2=C(C(O)=C(CC=C(C)C)C(O)=C2)C1=O ChemAxon formula C25H26O6 ChemAxon inchi InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 ChemAxon inchikey QNLGNISMYMFVHP-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 122.15 ChemAxon polarizability 46.8 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20220 Specdb::CMs 46138 Specdb::CMs 154964 Specdb::MsMs 44055 Specdb::MsMs 44056 Specdb::MsMs 44057 Specdb::MsMs 137475 Specdb::MsMs 137476 Specdb::MsMs 137477 Specdb::MsMs 2231312 Specdb::MsMs 2788798 Specdb::MsMs 2788799 Specdb::MsMs 2788800 Specdb::MsMs 2920429 Specdb::MsMs 2920430 Specdb::MsMs 2920431 HMDB38905 #<Reference:0x000055ce31f49188> Herbs and Spices Unknown generic