ANO

5-BETA-ANDROSTANE-3,17-DIONE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where ANO 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	5-BETA-ANDROSTANE-3,17-DIONE
Systematic Name (OpenEye OEToolkits)	(5R,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+/m1/s1
InChIKey	InChI	1.03	RAJWOBJTTGJROA-QJISAEMRSA-N

Drug Info: DrugBank

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

DrugBank ID	DB07375
Name	Etiocholanedione
Groups	experimental
Synonyms	Etiocholane-3,17-dione 5β-androstane-3,17-dione 5beta-androstane-3,17-dione Etiocholanedione
CAS number	1229-12-5

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
Immunoglobulin heavy constant gamma 2	ASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGV...	unknown
Immunoglobulin heavy constant gamma 1	ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...	unknown
Immunoglobulin kappa constant	RTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSG...	unknown
Immunoglobulin kappa variable 2-30	MRLPAQLLGLLMLWVPGSSGDVVMTQSPLSLPVTLGQPASISCRSSQSLV...	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