1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:01 UTC FDB020501 Feruperine Alkaloid from pepper (Piper nigrum) (Piperaceae). Feruperine is found in herbs and spices and pepper (spice). Feruperine C17H21NO3 287.3535 287.152143543 (2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one (2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one 77795-15-4 COC1=C(O)C=CC(\C=C/C=C/C(=O)N2CCCCC2)=C1 InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+ IUGIGWWOEYFTDM-KYPMKJFLSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Methoxybenzenes N-acylpiperidines Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Styrenes Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety N-acyl-piperidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Piperidine Styrene Tertiary carboxylic acid amide logp 3.44 ALOGPS logs -3.10 ALOGPS solubility 2.29e-01 g/l ALOGPS melting_point Mp 159° logp 2.69 ChemAxon pka_strongest_acidic 9.97 ChemAxon pka_strongest_basic 2.37 ChemAxon iupac (2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one ChemAxon average_mass 287.3535 ChemAxon mono_mass 287.152143543 ChemAxon smiles COC1=C(O)C=CC(\C=C/C=C/C(=O)N2CCCCC2)=C1 ChemAxon formula C17H21NO3 ChemAxon inchi InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+ ChemAxon inchikey IUGIGWWOEYFTDM-KYPMKJFLSA-N ChemAxon polar_surface_area 49.77 ChemAxon refractivity 85.58 ChemAxon polarizability 31.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14611 Specdb::CMs 46913 Specdb::CMs 137296 Specdb::CMs 145030 Specdb::MsMs 298294 Specdb::MsMs 298295 Specdb::MsMs 298296 Specdb::MsMs 340030 Specdb::MsMs 340031 Specdb::MsMs 340032 Specdb::MsMs 2383997 Specdb::MsMs 2383998 Specdb::MsMs 2383999 Specdb::MsMs 2581581 Specdb::MsMs 2581582 Specdb::MsMs 2581583 HMDB40699 #<Reference:0x00007f093c0b0c60> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216