1.0 2010-04-08 22:08:10 UTC 2019-11-26 03:02:55 UTC FDB008631 Niazinin B Constituent of Moringa oleifera (horseradish tree) (Moringaceae). Niazinin B is found in fats and oils, herbs and spices, and green vegetables. Niazinin B C15H21NO6S 343.395 343.108958099 N-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methoxycarbothioamide N-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methoxycarbothioamide 148152-07-2 COC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1 InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23) ZOIAMMQYAZSWRX-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Hexoses Hydrocarbon derivatives O-glycosyl compounds Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Secondary alcohols Thiocarbamic acid esters Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfur compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol Thiocarbamic acid derivative Thiocarbamic acid ester logp 0.68 ALOGPS logs -2.76 ALOGPS solubility 6.00e-01 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methoxycarbothioamide ChemAxon average_mass 343.395 ChemAxon mono_mass 343.108958099 ChemAxon smiles COC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1 ChemAxon formula C15H21NO6S ChemAxon inchi InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23) ChemAxon inchikey ZOIAMMQYAZSWRX-UHFFFAOYSA-N ChemAxon polar_surface_area 100.41 ChemAxon refractivity 86.17 ChemAxon polarizability 35.22 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50976 Specdb::MsMs 50977 Specdb::MsMs 50978 Specdb::MsMs 121863 Specdb::MsMs 121864 Specdb::MsMs 121865 Specdb::CMs 18727 Specdb::CMs 42678 HMDB31942 #<Reference:0x000055ce31930da0> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic