1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:33 UTC FDB011089 Lepidine F Alkaloid from the seeds of Lepidium sativum (garden cress). Lepidine F is found in garden cress and brassicas. C20H18N4O2 346.3825 346.14297584 4-[2-hydroxy-5-(1H-imidazol-2-ylmethyl)phenyl]-3-(1H-imidazol-2-ylmethyl)phenol 4-[2-hydroxy-5-(1H-imidazol-2-ylmethyl)phenyl]-3-(1H-imidazol-2-ylmethyl)phenol OC1=CC=C(C(CC2=NC=CN2)=C1)C1=C(O)C=CC(CC2=NC=CN2)=C1 InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24) XQANLWORMFUCPG-UHFFFAOYSA-N belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. Biphenyls and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organonitrogen compounds Organooxygen compounds Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Azole Biphenyl Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol logp 2.90 ALOGPS logs -3.82 ALOGPS solubility 5.30e-02 g/l ALOGPS melting_point Mp 245-247° logp 2.69 ChemAxon pka_strongest_acidic 9.38 ChemAxon pka_strongest_basic 7.35 ChemAxon iupac 4-[2-hydroxy-5-(1H-imidazol-2-ylmethyl)phenyl]-3-(1H-imidazol-2-ylmethyl)phenol ChemAxon average_mass 346.3825 ChemAxon mono_mass 346.14297584 ChemAxon smiles OC1=CC=C(C(CC2=NC=CN2)=C1)C1=C(O)C=CC(CC2=NC=CN2)=C1 ChemAxon formula C20H18N4O2 ChemAxon inchi InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24) ChemAxon inchikey XQANLWORMFUCPG-UHFFFAOYSA-N ChemAxon polar_surface_area 97.82 ChemAxon refractivity 99.39 ChemAxon polarizability 36.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25889 Specdb::CMs 43094 Specdb::CMs 151957 Specdb::MsMs 101853 Specdb::MsMs 101854 Specdb::MsMs 101855 Specdb::MsMs 167544 Specdb::MsMs 167545 Specdb::MsMs 167546 Specdb::MsMs 2461357 Specdb::MsMs 2461358 Specdb::MsMs 2461359 Specdb::MsMs 2477294 Specdb::MsMs 2477295 Specdb::MsMs 2477296 HMDB33094 #<Reference:0x000055ce318c52a8> Brassicas Unknown generic 3705 Garden cress Type 1 specific Lepidium sativum 33125