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CHEBI:131190 - androsta-1,4,6-triene-3,17-dione

Default Structure
ChEBI IDCHEBI:131190
ChEBI Nameandrosta-1,4,6-triene-3,17-dione
Stars
DefinitionAn androstanoid that is androsta-1,4,6-triene substituted by oxo groups at positions 3 and 17.
Last Modified26 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H22O2
Net Charge0
Average Mass282.383
Monoisotopic Mass282.16198
SMILES[H][C@@]12C=CC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H22O2/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/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKeyDKVSUQWCZQBWCP-QAGGRKNESA-N
Wikipedia
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
EC 1.14.14.14 (aromatase) inhibitor  An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones.
ChEBI Ontology
Outgoing Relation(s)
androsta-1,4,6-triene-3,17-dione (CHEBI:131190) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790)
androsta-1,4,6-triene-3,17-dione (CHEBI:131190) has role human xenobiotic metabolite (CHEBI:76967)
androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a 17-oxo steroid (CHEBI:19168)
androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
androsta-1,4,6-triene-3,17-dione (CHEBI:131190) is a androstanoid (CHEBI:50402)
IUPAC Name 
androsta-1,4,6-triene-3,17-dione
Synonyms  Source
1,4,6-Androstatriene-3,17-dioneChemIDplus
1,4,6-Etioallochan-dioneChemIDplus
Manual XrefsDatabases
1,4,6-Androstatriene-3,17-dioneWikipedia
Registry NumbersSources
Reaxys:3121300Reaxys
CAS:633-35-2ChemIDplus
Citations