AON

5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL

Created:	2002-04-24
Last modified:	2011-06-04

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1 entries where AON is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	8
Bond Count	56
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
Systematic Name (OpenEye OEToolkits)	(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
Formula	C₁₉ H₃₂ O₂
Molecular Weight	292.456
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4
SMILES	CACTVS	3.341	C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O
Canonical SMILES	CACTVS	3.341	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	CBMYJHIOYJEBSB-MFXFBURESA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03926
Name	5alpha-androstane-3beta,17alpha-diol
Groups	experimental
Description	5alpha-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	5alpha-androstane-3beta,17alpha-diol 5alpha-Androstan-3beta,17alpha-diol 5α-androstane-3β,17α-diol 3beta,17alpha-Dihydroxy-5alpha-androstane
Categories	Anabolic Agents Androstanes Androstanols Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Steroids Testosterone Congeners
CAS number	5856-11-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Sex hormone-binding globulin	MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG...	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