Alloepipregnanolone

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

This compound is the byproduct of 3beta-hydroxy-5alpha-steroid dehydrogenase (EC 1.1.1.278). With regard to hypothermia, the compound interferes with the development of rapid tolerance to the anxiolytic effect of ethanol. (PMID: 16612485)

[edit] General Properties

*Molecular Weight

318.49

*Molecular Formula

C₂₁H₃₄O₂

*IUPAC NAME

3beta-hydroxy-5alpha-pregnan-20-one

*Canonical Smiles

CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

*Isomeric Smiles

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]KEGG Compound
• [2]Human Metabolome DataBase