1.0 2016-05-22 05:07:27 UTC 2026-05-14 16:24:57 UTC Medrysone SmallMolecule Medrysone belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This lipid-like molecule has the chemical formula C22H32O3 and an average molecular weight of 344.49 g/mol. The compound is found in or released from three recorded sources, including antiinflammatory agents within healthcare, pharmaceuticals, and veterinary products, as well as non electric simulated smoking devices among household cleaning and consumer products. It is also present in indoor air, dust, and atmospheric transport. Recorded exposure routes for this substance include ophthalmic and inhalation. Medrysone interacts with four recorded protein targets. It acts as an agonist or modulator of the glucocorticoid receptor (NR3C1). Additionally, it targets three steroid hormone receptors: ERR1 (ESRRA), ERR2 (ESRRB), and the estrogen-related receptor gamma (ESRRG). C22H32O3 344.4877 344.23514489 (1S,2R,8S,10S,11S,14S,15S,17S)-14-acetyl-17-hydroxy-2,8,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one medrysone 2668-66-8 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1 GZENKSODFLBBHQ-ILSZZQPISA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives 11-beta-hydroxysteroids 20-oxosteroids 3-oxo delta-4-steroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 20-oxosteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol Aliphatic homopolycyclic compounds corticosteroid hormone Detected and Not Quantified Medrysone Action Pathway SMP0126256 Medrysone Drug Metabolism Action Pathway SMP0142714 Medrysone Predicted Metabolism Pathway SMP0174805 logp 3.13 logp 3.06 ALOGPS logs -4.01 ALOGPS solubility 3.37e-02 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_acidic 19.14 ChemAxon pka_strongest_basic -0.26 ChemAxon iupac (1S,2R,8S,10S,11S,14S,15S,17S)-14-acetyl-17-hydroxy-2,8,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 344.4877 ChemAxon mono_mass 344.23514489 ChemAxon smiles [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C ChemAxon formula C22H32O3 ChemAxon inchi InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1 ChemAxon inchikey GZENKSODFLBBHQ-ILSZZQPISA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 98.85 ChemAxon polarizability 39.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72246117d0> DB00253 247839 216968 BE0000794 BE0003722 BE0005001 BE0002088