1.0 2010-04-08 22:10:08 UTC 2025-11-18 23:36:05 UTC FDB012376 Frenolicin B Antibiotic feed additive especies for poultry and pigs. AM 3867I Antibiotic AM 3867I Antibiotic UCF76 C UCF76 C C18H16O6 328.316 328.094688244 4-hydroxy-17-propyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione 4-hydroxy-17-propyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione 68930-68-7 CCCC1OC2CC(=O)OC2C2=C1C(=O)C1=C(C=CC=C1O)C2=O InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3 AVCPRTNVVRPELB-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton. Benzoisochromanequinones Organic compounds Phenylpropanoids and polyketides Isochromanequinones Benzoisochromanequinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Carboxylic acid esters Dialkyl ethers Furans Furopyrans Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthopyranones Naphthoquinones Organic oxides Oxacyclic compounds Pyranones and derivatives Quinones Tetrahydrofurans Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzoisochromanequinone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Furan Furopyran Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthalene Naphthopyran Naphthopyranone Naphthoquinone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Quinone Tetrahydrofuran Vinylogous acid logp 2.69 ALOGPS logs -2.65 ALOGPS solubility 7.41e-01 g/l ALOGPS melting_point Mp 157-159° logp 2.42 ChemAxon pka_strongest_acidic 9.41 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-hydroxy-17-propyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione ChemAxon average_mass 328.316 ChemAxon mono_mass 328.094688244 ChemAxon smiles CCCC1OC2CC(=O)OC2C2=C1C(=O)C1=C(C=CC=C1O)C2=O ChemAxon formula C18H16O6 ChemAxon inchi InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3 ChemAxon inchikey AVCPRTNVVRPELB-UHFFFAOYSA-N ChemAxon polar_surface_area 89.9 ChemAxon refractivity 83.39 ChemAxon polarizability 33.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18398 Specdb::CMs 43713 Specdb::CMs 155494 Specdb::MsMs 76065 Specdb::MsMs 76066 Specdb::MsMs 76067 Specdb::MsMs 135804 Specdb::MsMs 135805 Specdb::MsMs 135806 Specdb::MsMs 2412817 Specdb::MsMs 2412818 Specdb::MsMs 2412819 Specdb::MsMs 2550198 Specdb::MsMs 2550199 Specdb::MsMs 2550200 HMDB34109 48201 #<Reference:0x000055ce317f6520>