1.0 2010-04-08 22:14:18 UTC 2019-11-26 03:17:25 UTC FDB019370 Neouralenol Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Neouralenol is found in herbs and spices. 2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one 3,6,7,3',4'-Pentahydroxy-2'-isoprenylflavone 3',4',6,7-Tetrahydroxy-2'-prenylflavonol Neouralenol C20H18O7 370.3527 370.10525293 2-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-3,6,7-trihydroxy-4H-chromen-4-one neouralenol 139163-16-9 CC(C)=CCC1=C(C=CC(O)=C1O)C1=C(O)C(=O)C2=C(O1)C=C(O)C(O)=C2 InChI=1S/C20H18O7/c1-9(2)3-4-10-11(5-6-13(21)17(10)24)20-19(26)18(25)12-7-14(22)15(23)8-16(12)27-20/h3,5-8,21-24,26H,4H2,1-2H3 NACBYUYHTLUWAI-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 2'-position. 2'-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Catechols Chromones Flavonols Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-prenylated flavone 3'-hydroxyflavonoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Flavones and Flavonols logp 2.78 ALOGPS logs -4.03 ALOGPS solubility 3.45e-02 g/l ALOGPS melting_point Mp 229-231° logp 3.23 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-3,6,7-trihydroxy-4H-chromen-4-one ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles CC(C)=CCC1=C(C=CC(O)=C1O)C1=C(O)C(=O)C2=C(O1)C=C(O)C(O)=C2 ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c1-9(2)3-4-10-11(5-6-13(21)17(10)24)20-19(26)18(25)12-7-14(22)15(23)8-16(12)27-20/h3,5-8,21-24,26H,4H2,1-2H3 ChemAxon inchikey NACBYUYHTLUWAI-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 101.1 ChemAxon polarizability 37.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22663 Specdb::CMs 46542 Specdb::CMs 162380 Specdb::MsMs 95661 Specdb::MsMs 95662 Specdb::MsMs 95663 Specdb::MsMs 159972 Specdb::MsMs 159973 Specdb::MsMs 159974 Specdb::MsMs 2346758 Specdb::MsMs 2346759 Specdb::MsMs 2346760 Specdb::MsMs 2591473 Specdb::MsMs 2591474 Specdb::MsMs 2591475 HMDB39731 #<Reference:0x000055ce31a5ecb8> Herbs and Spices Unknown generic