2-hydroxyestrone

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

catechol estrogen which is a major metabolite of estradiol in man and animals; RN given refers to parent cpd

[edit] General Properties

*Molecular Weight

286.37

*Molecular Formula

C₁₈H₂₂O₃

*IUPAC NAME

(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

*Canonical Smiles

CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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