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CHEBI:4518 - dienestrol

ChEBI IDCHEBI:4518
ChEBI Namedienestrol
Stars
DefinitionAn olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H18O2
Net Charge0
Average Mass266.340
Monoisotopic Mass266.13068
SMILESCC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3
InChIKeyNFDFQCUYFHCNBW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
Application:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
dienestrol (CHEBI:4518) has role xenoestrogen (CHEBI:76988)
dienestrol (CHEBI:4518) is a olefinic compound (CHEBI:78840)
dienestrol (CHEBI:4518) is a phenols (CHEBI:33853)
IUPAC Name 
4,4'-hexa-2,4-diene-3,4-diyldiphenol
INN  Source
dienestrolKEGG DRUG
Synonyms  Source
DienestrolKEGG COMPOUND
DehydrostilbestrolKEGG COMPOUND
p,p'-(Diethylideneethylene)diphenolNIST Chemistry WebBook
Di(p-oxyphenyl)-2,4-hexadieneNIST Chemistry WebBook
4,4'-Hydroxy-γ,δ-diphenyl-β,δ-hexadieneNIST Chemistry WebBook
Manual XrefsDatabases
C08090KEGG COMPOUND
DB00890DrugBank
D00898KEGG DRUG
US2464203Patent
US2465505Patent
DienestrolWikipedia
LSM-4142LINCS
Registry NumbersSources
Reaxys:2053692Reaxys
CAS:84-17-3KEGG COMPOUND
CAS:84-17-3ChemIDplus
CAS:84-17-3NIST Chemistry WebBook
Citations