5SD

5ALPHA-ANDROSTAN-3,17-DIONE

Created:	2003-05-30
Last modified:	2011-06-04

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3 entries where 5SD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	6
Bond Count	52
Aromatic Bond Count	0

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Chemical Component Summary
Name	5ALPHA-ANDROSTAN-3,17-DIONE
Systematic Name (OpenEye OEToolkits)	(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Formula	C₁₉ H₂₈ O₂
Molecular Weight	288.424
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C
SMILES	CACTVS	3.341	C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O
SMILES	OpenEye OEToolkits	1.5.0	CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C
Canonical SMILES	CACTVS	3.341	C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI	InChI	1.03	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/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKey	InChI	1.03	RAJWOBJTTGJROA-WZNAKSSCSA-N

Drug Info: DrugBank

DrugBank ID	DB01561
Name	Androstanedione
Groups	illicit experimental
Synonyms	Androstanedione 5α-androstane-3,17-dione 5alpha-Androstan-3,17-dione
CAS number	846-46-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estradiol 17-beta-dehydrogenase 1	MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAA...	unknown
Steroid Delta-isomerase	MNTPEHMTAVVQRYVAALNAGDLDGIVALFADDATVEDPVGSEPRSGTAA...	unknown
Aldo-keto reductase family 1 member C3	MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHID...	unknown	substrate

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