Chemical Component Summary

Name5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
Identifiers(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
FormulaC19 H32 O2
Molecular Weight292.456
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O
InChIInChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyCBMYJHIOYJEBSB-MFXFBURESA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count8
Bond Count56
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03926 
Name5alpha-androstane-3beta,17alpha-diol
Groups experimental
Description5alpha-androstane-3beta,17alpha-diol is the unspecified form of the steroid, normally a major metabolite of [testosterone] with androgenic activity. It has been implicated as a regulator of gonadotropin secretion.
Synonyms
  • 5α-androstane-3β,17α-diol
  • 5alpha-Androstan-3beta,17alpha-diol
  • 3beta,17alpha-Dihydroxy-5alpha-androstane
  • 5alpha-androstane-3beta,17alpha-diol
Categories
  • Anabolic Agents
  • Androstanes
  • Androstanols
  • Fused-Ring Compounds
  • Gonadal Hormones
CAS number5856-11-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Sex hormone-binding globulinMESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446934
ChEBI CHEBI:40836