1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:57 UTC FDB016260 Isolicoflavonol Constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Isolicoflavonol is found in herbs and spices. 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI 4',5,7-Trihydroxy-3'-prenylflavonol Isolicoflavonol C20H18O6 354.3533 354.110338308 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one isolicoflavonol 94805-83-1 CC(C)=CCC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 PGCKDCPTJAQQSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3'-position. 3'-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Flavonols Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-prenylated flavone 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.42 ALOGPS logs -4.42 ALOGPS solubility 1.34e-02 g/l ALOGPS melting_point Mp 119° logp 4.19 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one ChemAxon average_mass 354.3533 ChemAxon mono_mass 354.110338308 ChemAxon smiles CC(C)=CCC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 ChemAxon inchikey PGCKDCPTJAQQSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 99.12 ChemAxon polarizability 37.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44448 Specdb::MsMs 44449 Specdb::MsMs 44450 Specdb::MsMs 137574 Specdb::MsMs 137575 Specdb::MsMs 137576 Specdb::MsMs 374591 Specdb::MsMs 451211 Specdb::MsMs 2385143 Specdb::MsMs 2385144 Specdb::MsMs 2385145 Specdb::MsMs 2577780 Specdb::MsMs 2577781 Specdb::MsMs 2577782 Specdb::CMs 19276 Specdb::CMs 45282 Specdb::CMs 167042 HMDB37249 #<Reference:0x000055ce325f8088> Herbs and Spices Unknown generic