(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.

Androgens and derivatives

Organic compounds

Lipids and lipid-like molecules

Steroids and steroid derivatives

Androstane steroids

Calculated Property

kind Value Source
logP 2.99 ALOGPS
logS -3.9 ALOGPS
Water Solubility 3.33e-02 g/l ALOGPS
logP 3.37 ChemAxon
IUPAC Name (1S,2R,10R,11S,14R,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon
Traditional IUPAC Name epitestosterone ChemAxon
Molecular Weight 288.4244 ChemAxon
Monoisotopic Weight 288.20893014 ChemAxon
SMILES [H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C ChemAxon
Molecular Formula C19H28O2 ChemAxon
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1 ChemAxon
InChIKey InChIKey=MUMGGOZAMZWBJJ-KZYORJDKSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 84.43 ChemAxon
Polarizability 33.76 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 19.09 ChemAxon
pKa (strongest basic) -0.88 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Aldo-keto reductase family 1 member C1 : in Human
  • Aldo-keto reductase family 1 member C2 : in Human