1.0 2010-04-08 22:07:38 UTC 2025-11-18 23:04:52 UTC FDB007474 Invertin Invertin, also known as doxycycline or monodox, is a member of the class of compounds known as tetracyclines. Tetracyclines are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Invertin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Invertin can be found in common verbena, which makes invertin a potential biomarker for the consumption of this food product. Invertin is an enzyme that catalyzes the hydrolysis (breakdown) of sucrose (table sugar). Alternate names for invertase include EC 3.2.1.26, saccharase, glucosucrase, beta-h-fructosidase, beta-fructosidase, invertin, sucrase, maxinvert L 1000, fructosylinvertase, alkaline invertase, acid invertase, and the systematic name: beta-fructofuranosidase. The resulting mixture of fructose and glucose is called inverted sugar syrup. Related to invertases are sucrases. Invertins and sucrases hydrolyze sucrose to give the same mixture of glucose and fructose. Invertins cleave the O-C(fructose) bond, whereas the sucrases cleave the O-C(glucose) bond . C22H26N2O9 462.455 462.163830425 (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid hydrate α-doxycycline hydrate 17086-28-1 O.[H][C@]1(C)C2=C(C(O)=CC=C2)C(=O)C2=C(O)[C@]3(O)C(=O)C(C(O)=N)=C(O)[C@@]([H])(N(C)C)[C@]3([H])[C@@]([H])(O)[C@]12[H] InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1 XQTWDDCIUJNLTR-CVHRZJFOSA-N belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Tetracyclines Organic compounds Phenylpropanoids and polyketides Tetracyclines Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Aryl ketones Carboximidic acids Cyclohexenones Enols Hydrocarbon derivatives Naphthacenes Organic oxides Organopnictogen compounds Polyols Secondary alcohols Tertiary alcohols Tetralins Trialkylamines Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic homopolycyclic compound Aryl ketone Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Cyclohexenone Enol Hydrocarbon derivative Ketone Naphthacene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Secondary alcohol Tertiary alcohol Tertiary aliphatic amine Tertiary amine Tetracene Tetracycline Tetralin Vinylogous acid hydrate logp 0.13 ALOGPS logs -2.85 ALOGPS solubility 6.23e-01 g/l ALOGPS logp -5.2 ChemAxon pka_strongest_acidic -2.7 ChemAxon pka_strongest_basic 13.84 ChemAxon iupac (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid hydrate ChemAxon average_mass 462.455 ChemAxon mono_mass 462.163830425 ChemAxon smiles O.[H][C@]1(C)C2=C(C(O)=CC=C2)C(=O)C2=C(O)[C@]3(O)C(=O)C(C(O)=N)=C(O)[C@@]([H])(N(C)C)[C@]3([H])[C@@]([H])(O)[C@]12[H] ChemAxon formula C22H26N2O9 ChemAxon inchi InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1 ChemAxon inchikey XQTWDDCIUJNLTR-CVHRZJFOSA-N ChemAxon polar_surface_area 182.61 ChemAxon refractivity 124.83 ChemAxon polarizability 43.21 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46434 Specdb::MsMs 46435 Specdb::MsMs 46436 Specdb::MsMs 118443 Specdb::MsMs 118444 Specdb::MsMs 118445 Common verbena Type 1 specific Verbena officinalis 79772