ATE

16,17-ANDROSTENE-3-OL

Created:2004-10-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count7
Bond Count53
Aromatic Bond Count0
2D diagram of ATE

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Chemical Component Summary

Name16,17-ANDROSTENE-3-OL
Systematic Name (OpenEye OEToolkits)(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
FormulaC19 H30 O
Molecular Weight274.441
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC4CCC3(C2C(C1C(C=CC1)(CC2)C)CCC3C4)C
SMILESCACTVS3.341C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC=C2
SMILESOpenEye OEToolkits1.5.0CC12CCC3C(C1CC=C2)CCC4C3(CCC(C4)O)C
Canonical SMILESCACTVS3.341 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C
InChIInChI1.03 InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
InChIKeyInChI1.03 KRVXMNNRSSQZJP-PHFHYRSDSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01889 
Name16,17-Androstene-3-Ol
Groups experimental
Synonyms16,17-Androstene-3-Ol
CAS number7148-51-8

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Nuclear receptor subfamily 1 group I member 3MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFA...unknownantagonist
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 101989
ChEMBL CHEMBL142348
ChEBI CHEBI:40933