1.0 2010-04-08 22:09:15 UTC 2019-11-26 03:03:59 UTC FDB010677 Lepidine D Alkaloid from Lepidium sativum (garden cress). Lepidine D is found in garden cress and brassicas. 2-oxopropanal N-phenylhydrazone Lepidine D PYRUVALDEHYDE-1-PHENYLHYDRAZONE C20H18N4O2 346.3825 346.14297584 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol OC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1 InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24) KDBJPLXCURQBOE-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Diphenylethers Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Diarylethers Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Azole Diaryl ether Diphenylether Ether Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound logp 3.57 ALOGPS logs -3.96 ALOGPS solubility 3.78e-02 g/l ALOGPS melting_point Mp 202-204° logp 2.85 ChemAxon pka_strongest_acidic 9.68 ChemAxon pka_strongest_basic 7.33 ChemAxon iupac 3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol ChemAxon average_mass 346.3825 ChemAxon mono_mass 346.14297584 ChemAxon smiles OC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1 ChemAxon formula C20H18N4O2 ChemAxon inchi InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24) ChemAxon inchikey KDBJPLXCURQBOE-UHFFFAOYSA-N ChemAxon polar_surface_area 86.82 ChemAxon refractivity 98.51 ChemAxon polarizability 36.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23866 Specdb::CMs 42932 Specdb::CMs 147702 Specdb::MsMs 94740 Specdb::MsMs 94741 Specdb::MsMs 94742 Specdb::MsMs 158835 Specdb::MsMs 158836 Specdb::MsMs 158837 Specdb::MsMs 2447331 Specdb::MsMs 2447332 Specdb::MsMs 2447333 Specdb::MsMs 2518701 Specdb::MsMs 2518702 Specdb::MsMs 2518703 HMDB32716 #<Reference:0x000055ce32d29640> Brassicas Unknown generic 3705 Garden cress Type 1 specific Lepidium sativum 33125