1.0 2010-04-08 22:09:43 UTC 2019-11-26 03:05:06 UTC FDB011584 Dehydroisochalciporone Nonpungent constituent of Chalciporus piperatus. Dehydroisochalciporone is found in mushrooms. 7-Methyl-2-(7-oxo-1,3,5-nonatrienyl)-3H-azepine Dehydroisochalciporone C16H19NO 241.3282 241.146664235 (4Z,6E,8Z)-9-(2-methyl-2H-azepin-7-yl)nona-4,6,8-trien-3-one (4Z,6E,8Z)-9-(7-methyl-7H-azepin-2-yl)nona-4,6,8-trien-3-one CCC(=O)\C=C/C=C/C=C\C1=NC(C)C=CC=C1 InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-14H,3H2,1-2H3/b5-4+,11-6-,13-7- WJIGOTVFVWHJRY-BYWROCKKSA-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 Acryloyl compounds Azacyclic compounds Enones Hydrocarbon derivatives Ketimines Ketones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Acryloyl-group Aliphatic heteromonocyclic compound Alpha,beta-unsaturated ketone Azacycle Azepine Carbonyl group Enone 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 4.09 ALOGPS logs -4.99 ALOGPS solubility 2.48e-03 g/l ALOGPS logp 3.93 ChemAxon pka_strongest_basic 6.4 ChemAxon iupac (4Z,6E,8Z)-9-(2-methyl-2H-azepin-7-yl)nona-4,6,8-trien-3-one ChemAxon average_mass 241.3282 ChemAxon mono_mass 241.146664235 ChemAxon smiles CCC(=O)\C=C/C=C/C=C\C1=NC(C)C=CC=C1 ChemAxon formula C16H19NO ChemAxon inchi InChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-14H,3H2,1-2H3/b5-4+,11-6-,13-7- ChemAxon inchikey WJIGOTVFVWHJRY-BYWROCKKSA-N ChemAxon polar_surface_area 29.43 ChemAxon refractivity 82.5 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9517 Specdb::CMs 155951 Specdb::MsMs 89928 Specdb::MsMs 89929 Specdb::MsMs 89930 Specdb::MsMs 152976 Specdb::MsMs 152977 Specdb::MsMs 152978 Specdb::MsMs 2728225 Specdb::MsMs 2728226 Specdb::MsMs 2728227 Specdb::MsMs 2980706 Specdb::MsMs 2980707 Specdb::MsMs 2980708 HMDB33527 #<Reference:0x000055ce32e035c0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322