1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:34 UTC FDB018015 z-Clausenamide Alkaloid from Clausena lansium (wampee). z-Clausenamide is found in fruits. 5,6-Dihydro-5-hydroxy-3-methyl-6-phenyl-3-benzazocin-4(3H)-one, 9CI C18H17NO2 279.3331 279.125928793 5-hydroxy-3-methyl-6-phenyl-3,4,5,6-tetrahydro-3-benzazocin-4-one 5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one 136173-85-8 CN1\C=C/C2=CC=CC=C2C(C(O)C1=O)C1=CC=CC=C1 InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11- VRSSZILNAITUII-QXMHVHEDSA-N belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring. Benzazocines Organic compounds Benzenoids Benzene and substituted derivatives Benzazocines Aromatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Tertiary carboxylic acid amides Alcohol Aromatic heteropolycyclic compound Azacycle Benzazocine Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Tertiary carboxylic acid amide logp 2.72 ALOGPS logs -3.19 ALOGPS solubility 1.79e-01 g/l ALOGPS logp 2.46 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 5-hydroxy-3-methyl-6-phenyl-3,4,5,6-tetrahydro-3-benzazocin-4-one ChemAxon average_mass 279.3331 ChemAxon mono_mass 279.125928793 ChemAxon smiles CN1\C=C/C2=CC=CC=C2C(C(O)C1=O)C1=CC=CC=C1 ChemAxon formula C18H17NO2 ChemAxon inchi InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11- ChemAxon inchikey VRSSZILNAITUII-QXMHVHEDSA-N ChemAxon polar_surface_area 40.54 ChemAxon refractivity 83.04 ChemAxon polarizability 29.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9349 Specdb::CMs 45944 Specdb::CMs 173204 Specdb::MsMs 78210 Specdb::MsMs 78211 Specdb::MsMs 78212 Specdb::MsMs 138501 Specdb::MsMs 138502 Specdb::MsMs 138503 Specdb::MsMs 2356668 Specdb::MsMs 2356669 Specdb::MsMs 2356670 Specdb::MsMs 2609753 Specdb::MsMs 2609754 Specdb::MsMs 2609755 HMDB38621 #<Reference:0x000055ce31829f10> Fruits Unknown generic