CHEBI:77006 - 17β-estradiol 3-benzoate

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ChEBI Name 17β-estradiol 3-benzoate
ChEBI ASCII Name 17beta-estradiol 3-benzoate
Definition A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17β-estradiol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H28O3
Net Charge 0
Average Mass 376.48800
InChI InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
Roles Classification
Biological Role(s): xenoestrogen
A synthetic or semi-synthetic compound that has oestrogenic activity.
estrogen receptor agonist
An agonist at the estrogen receptor.
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ChEBI Ontology
Outgoing 17β-estradiol 3-benzoate (CHEBI:77006) has functional parent 17β-estradiol (CHEBI:16469)
17β-estradiol 3-benzoate (CHEBI:77006) has role estrogen receptor agonist (CHEBI:63951)
17β-estradiol 3-benzoate (CHEBI:77006) has role xenoestrogen (CHEBI:76988)
17β-estradiol 3-benzoate (CHEBI:77006) is a 17β-hydroxy steroid (CHEBI:35343)
17β-estradiol 3-benzoate (CHEBI:77006) is a benzoate ester (CHEBI:36054)
(17β)-17-hydroxyestra-1(10),2,4-trien-3-yl benzoate
INNs Sources
benzoate d'estradiol ChemIDplus
benzoato de estradiol ChemIDplus
estradiol benzoate ChemIDplus
estradioli benzoas ChemIDplus
Synonyms Sources
17-beta-Estradiol 3-benzoate KEGG COMPOUND
17β-estradiol monobenzoate ChemIDplus
β-estradiol 3-benzoate ChEBI
estra-1,3,5(10)-triene-3,17β-diol 3-benzoate ChemIDplus
estradiol monobenzoate ChemIDplus
oestradiol 3-benzoate ChemIDplus
oestradiol benzoate ChEBI
oestradiol monobenzoate ChemIDplus
Brand Names Sources
Agofollin Depot ChemIDplus
Benovocylin ChemIDplus
Benzo-Gynoestryl ChemIDplus
Benztrone ChemIDplus
Estrogin NIST Chemistry WebBook
Folone NIST Chemistry WebBook
Mesalin NIST Chemistry WebBook
Ovahormon KEGG DRUG
Ovasterol-B ChemIDplus
Primogyn B ChemIDplus
Progynon B ChemIDplus
Progynon benzoate ChemIDplus
Database Links Databases
DB00783 DrugBank
Estradiol_benzoate Wikipedia
View more database links
Registry Numbers Types Sources
3107526 Reaxys Registry Number Reaxys
50-50-0 CAS Registry Number NIST Chemistry WebBook
50-50-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18356042 PubMed citation CiteXplore
19090709 PubMed citation CiteXplore
Last Modified
28 July 2014