1.0 2010-04-08 22:09:18 UTC 2019-11-26 03:04:06 UTC FDB010781 Niazirin Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirin is found in brassicas. 4-((6-Deoxy-alpha-L-mannopyranosyl)oxy)benzeneacetonitrile 4-(alpha-L-Rhamnosyloxy)phenylacetonitrile 4-(rhamnosyloxy)phenylacetonitrile 4-Hydroxyphenylacetonitrile O-a-L-rhamnopyranoside 4-Hydroxyphenylacetonitrile O-a-L-rhamnoside 4-Hydroxyphenylacetonitrile rhamnoside Niazirin C14H17NO5 279.2885 279.110672659 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetonitrile 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetonitrile 122001-32-5 CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1O InChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3 OBJREHLZEIEGDU-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 Benzyl cyanides Hexoses Hydrocarbon derivatives Nitriles O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzyl-cyanide Carbonitrile Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol logp 0.61 ALOGPS logs -1.43 ALOGPS solubility 1.04e+01 g/l ALOGPS logp 0.14 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetonitrile ChemAxon average_mass 279.2885 ChemAxon mono_mass 279.110672659 ChemAxon smiles CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1O ChemAxon formula C14H17NO5 ChemAxon inchi InChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3 ChemAxon inchikey OBJREHLZEIEGDU-UHFFFAOYSA-N ChemAxon polar_surface_area 102.94 ChemAxon refractivity 68.93 ChemAxon polarizability 28.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16356 Specdb::CMs 42974 Specdb::MsMs 12323 Specdb::MsMs 12324 Specdb::MsMs 12325 Specdb::MsMs 18995 Specdb::MsMs 18996 Specdb::MsMs 18997 HMDB32807 #<Reference:0x000055ce32fab698> Brassicas Unknown generic 3705