1.0 2010-04-08 22:09:43 UTC 2025-11-18 23:29:19 UTC FDB011582 Chalciporone Pungent principle from fruit-bodies of the toxic mushroom Chalciporus piperatus. Chalciporone is found in mushrooms. 2-Methyl-7-(7-oxo-1,3-nonadienyl)-2H-azepine C16H21NO 243.344 243.162314299 (6E,8Z)-9-(7-methyl-3H-azepin-2-yl)nona-6,8-dien-3-one (6E,8Z)-9-(7-methyl-3H-azepin-2-yl)nona-6,8-dien-3-one 112448-74-5 CCC(=O)CC\C=C\C=C/C1=NC(C)=CC=CC1 InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-11H,3,7,12-13H2,1-2H3/b5-4+,11-6- WOIOXNFWBXFNFJ-QTJNYWJXSA-N belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. Azepines Organic compounds Organoheterocyclic compounds Azepines Aliphatic heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Ketimines Ketones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Azacycle Azepine Carbonyl group Hydrocarbon derivative Imine Ketimine Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound logp 4.42 ALOGPS logs -4.61 ALOGPS solubility 6.02e-03 g/l ALOGPS logp 3.45 ChemAxon pka_strongest_basic 7.23 ChemAxon iupac (6E,8Z)-9-(7-methyl-3H-azepin-2-yl)nona-6,8-dien-3-one ChemAxon average_mass 243.344 ChemAxon mono_mass 243.162314299 ChemAxon smiles CCC(=O)CC\C=C\C=C/C1=NC(C)=CC=CC1 ChemAxon formula C16H21NO ChemAxon inchi InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-11H,3,7,12-13H2,1-2H3/b5-4+,11-6- ChemAxon inchikey WOIOXNFWBXFNFJ-QTJNYWJXSA-N ChemAxon polar_surface_area 29.43 ChemAxon refractivity 81.96 ChemAxon polarizability 28.61 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19168 Specdb::CMs 169169 Specdb::MsMs 108450 Specdb::MsMs 108451 Specdb::MsMs 108452 Specdb::MsMs 175677 Specdb::MsMs 175678 Specdb::MsMs 175679 Specdb::MsMs 2451355 Specdb::MsMs 2451356 Specdb::MsMs 2451357 Specdb::MsMs 2487696 Specdb::MsMs 2487697 Specdb::MsMs 2487698 HMDB0033526 Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322