17H

17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE

Created:	2005-09-14
Last modified:	2011-06-04

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1 entries where 17H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	4
Bond Count	54
Aromatic Bond Count	0

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Chemical Component Summary
Name	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
Systematic Name (OpenEye OEToolkits)	(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Formula	C₂₁ H₂₈ O₂
Molecular Weight	312.446
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4C=C3C(=C2C=CC1(C(CCC1(O)CC)C2CC3)CC)CC4
SMILES	CACTVS	3.341	CC[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3C=C[C]12CC
SMILES	OpenEye OEToolkits	1.5.0	CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O
Canonical SMILES	CACTVS	3.341	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12CC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O
InChI	InChI	1.03	InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
InChIKey	InChI	1.03	OXHNQTSIKGHVBH-ANULTFPQSA-N

Drug Info: DrugBank

DrugBank ID	DB06870
Name	Tetrahydrogestrinone
Groups	experimental
Synonyms	Tetrahydrogestrinone
Categories	Anabolic Agents Androgens Fused-Ring Compounds Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Norpregnanes Norpregnatrienes Norsteroids Steroids
CAS number	618903-56-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Androgen receptor	MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...	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