1.0 2016-05-22 03:39:18 UTC 2026-08-19 21:28:40 UTC Cyclandelate SmallMolecule Cyclandelate is an organic compound with the chemical formula C17H24O3 and an average molecular weight of 276.37 g/mol. Cyclandelate belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound is associated with 17 recorded sources. Within the healthcare, pharmaceuticals, and veterinary products category, it is used as a peripheral vasodilator. Other recorded sources include household cleaning and consumer products, such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and non electric simulated devices for simulated smoking. It is also found in food, food processing, and cookware applications, specifically in food preservation and fermentation processes for beer, as well as the preparation of wine or sparkling wine. Additionally, it is released from electrical and electronic equipment, including electrodes, discharge lamps, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among three other sources. The recorded exposure route for cyclandelate is oral. In terms of biological activity, the compound is associated with two recorded protein targets. It acts as an inhibitor of the voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1) and interacts with liver carboxylesterase 1 (CES1). C17H24O3 276.3707 276.172544634 3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate cyclandelate 456-59-7 CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1 InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3 WZHCOOQXZCIUNC-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives Aromatic alcohols Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aromatic alcohol Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aromatic homomonocyclic compounds carboxylic ester secondary alcohol Detected and Not Quantified Cyclandelate Action Pathway SMP0126311 Cyclandelate Drug Metabolism Action Pathway SMP0143920 logp 3.72 logp 3.79 ALOGPS logs -3.44 ALOGPS solubility 9.97e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 11.99 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate ChemAxon average_mass 276.3707 ChemAxon mono_mass 276.172544634 ChemAxon smiles CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1 ChemAxon formula C17H24O3 ChemAxon inchi InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3 ChemAxon inchikey WZHCOOQXZCIUNC-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 78.06 ChemAxon polarizability 30.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722101c8a0> DB04838 2893 2790 BE0000691 BE0002705