1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019054 Macaridine Alkaloid from the tubers of Lepidium meyenii (maca). Macaridine is found in root vegetables. 3-Benzyl-1-hydroxy-1,2-dihydro-pyridine-4-carbaldehyde 3-benzyl-1-hydroxy-1,2-dihydropyridine-4-carbaldehyde 3-Benzyl-1,2-dihydro-1-hydroxy-4-pyridinecarboxaldehyde 3-Benzyl-1,2-dihydro-N-hydroxypyridine-4-carbaldehyde 3-Benzyl-4-formyl-1,2-dihydro-1-hydroxypyridine C13H13NO2 215.2478 215.094628665 3-benzyl-1-hydroxy-1,2-dihydropyridine-4-carbaldehyde 3-benzyl-1-hydroxy-2H-pyridine-4-carbaldehyde ON1CC(CC2=CC=CC=C2)=C(C=O)C=C1 InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2 PHSAQLJHWJOCBJ-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyridines. Dihydropyridines are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. Dihydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aromatic heteromonocyclic compounds Aldehydes Azacyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives N-organohydroxylamines Organic oxides Organopnictogen compounds Aldehyde Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Dihydropyridine Hydrocarbon derivative Monocyclic benzene moiety N-organohydroxylamine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 1.21 ALOGPS logs -2.45 ALOGPS solubility 7.72e-01 g/l ALOGPS logp 1.18 ChemAxon pka_strongest_acidic 15.21 ChemAxon pka_strongest_basic 1.87 ChemAxon iupac 3-benzyl-1-hydroxy-1,2-dihydropyridine-4-carbaldehyde ChemAxon average_mass 215.2478 ChemAxon mono_mass 215.094628665 ChemAxon smiles ON1CC(CC2=CC=CC=C2)=C(C=O)C=C1 ChemAxon formula C13H13NO2 ChemAxon inchi InChI=1S/C13H13NO2/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2 ChemAxon inchikey PHSAQLJHWJOCBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.54 ChemAxon refractivity 63.71 ChemAxon polarizability 22.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14099 Specdb::CMs 137796 Specdb::CMs 145530 Specdb::MsMs 87711 Specdb::MsMs 87712 Specdb::MsMs 87713 Specdb::MsMs 150273 Specdb::MsMs 150274 Specdb::MsMs 150275 Specdb::MsMs 2310057 Specdb::MsMs 2310058 Specdb::MsMs 2310059 Specdb::MsMs 2655476 Specdb::MsMs 2655477 Specdb::MsMs 2655478 HMDB39455 #<Reference:0x000055ce3174bcd8> Root vegetables Unknown generic