1.0 2016-05-22 04:30:19 UTC 2026-08-22 10:18:33 UTC Iloprost SmallMolecule Iloprost is an organic compound with the chemical formula C30H38O5 and an average molecular weight of 478.62 g/mol. Iloprost belongs to the eicosanoids, a subclass of fatty acyls within the organic compounds. This compound is found in or released from three recorded sources, including antithrombotic agents within healthcare, pharmaceuticals, and veterinary products, as well as household cleaning and consumer products specifically related to tobacco pipes and pipe accessories. Recorded exposure routes for the substance include respiratory and intravenous administration. Iloprost interacts with nine recorded protein targets. It acts as an agonist, inducer, or otherwise interacts with the prostacyclin receptor (PTGIR), tissue-type plasminogen activator (PLAT), 3',5'-cyclic-AMP phosphodiesterase 4A (PDE4A), and 3',5'-cyclic-AMP phosphodiesterase 4B (PDE4B), in addition to five other proteins. C30H38O5 478.6197 478.271924326 2-oxo-2-phenylethyl 5-[(2Z)-5-hydroxy-4-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoate iloprost 78919-13-8 CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1 InChI=1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11- CZUMMMDKQYRZDP-JCAXBLPDSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Prostaglandins and related compounds Alkyl-phenylketones Alpha-acyloxy ketones Aromatic monoterpenoids Aryl alkyl ketones Benzoyl derivatives Bicyclic monoterpenoids Carboxylic acid esters Cyclic alcohols and derivatives Fatty acid esters Fatty alcohols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Alkyl-phenylketone Alpha-acyloxy ketone Aromatic homopolycyclic compound Aromatic monoterpenoid Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Fatty acid ester Fatty alcohol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Phenylketone Prostaglandin skeleton Secondary alcohol Aromatic homopolycyclic compounds Detected and Not Quantified Iloprost Action Pathway SMP0126507 Iloprost Drug Metabolism Action Pathway SMP0143511 logp 3.56 logp 5.04 ALOGPS logs -5.38 ALOGPS solubility 2.00e-03 g/l ALOGPS logp 4.94 ChemAxon pka_strongest_acidic 13.72 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 2-oxo-2-phenylethyl 5-[(2Z)-5-hydroxy-4-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoate ChemAxon average_mass 478.6197 ChemAxon mono_mass 478.271924326 ChemAxon smiles CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1 ChemAxon formula C30H38O5 ChemAxon inchi InChI=1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11- ChemAxon inchikey CZUMMMDKQYRZDP-JCAXBLPDSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 139.85 ChemAxon polarizability 55.4 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226ad0fa8> DB01088 6435378 4940161 BE0000475 BE0001088 BE0001133 BE0000487 BE0002353 BE0001287 BE0000064 BE0003561 BE0000368