CHEBI:41922 - diethylstilbestrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diethylstilbestrol
ChEBI ID CHEBI:41922
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4531, CHEBI:41920
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Formula C18H20O2
Net Charge 0
Average Mass 268.35020
Monoisotopic Mass 268.146
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N
SMILES CC\C(c1ccc(O)cc1)=C(\CC)c1ccc(O)cc1
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
xenoestrogen
A synthetic or semi-synthetic compound that has oestrogenic activity.
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
xenoestrogen
A synthetic or semi-synthetic compound that has oestrogenic activity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diethylstilbestrol (CHEBI:41922) has role antineoplastic agent (CHEBI:35610)
diethylstilbestrol (CHEBI:41922) has role carcinogenic agent (CHEBI:50903)
diethylstilbestrol (CHEBI:41922) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
diethylstilbestrol (CHEBI:41922) has role xenoestrogen (CHEBI:76988)
diethylstilbestrol (CHEBI:41922) is a polyphenol (CHEBI:26195)
Incoming diethylstilbestrol diphosphate (CHEBI:4532) has functional parent diethylstilbestrol (CHEBI:41922)
IUPAC Name
4,4'-(3E)-hex-3-ene-3,4-diyldiphenol
INNs Sources
diéthylstilbestrol ChEBI
diethylstilbestrol ChemIDplus
diethylstilbestrolum ChemIDplus
dietilestilbestrol ChemIDplus
Synonyms Sources
(E)-3,4-bis(4-hydroxyphenyl)-3-hexene ChemIDplus
(E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol NIST Chemistry WebBook
4,4'-dihydroxy-α,β-diethylstilbene NIST Chemistry WebBook
α,α'-diethyl-(E)-4,4'-stilbenediol NIST Chemistry WebBook
DES KEGG COMPOUND
Diethylstilbestrol KEGG COMPOUND
trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol NIST Chemistry WebBook
trans-Diethylstilbesterol DrugBank
trans-Diethylstilbestrol DrugBank
trans-Diethylstilboesterol DrugBank
Brand Name Source
Distilbene DrugBank
Database Links Databases
875 DrugCentral
C07620 KEGG COMPOUND
D00577 KEGG DRUG
DB00255 DrugBank
Diethylstilbestrol Wikipedia
HMDB0014400 HMDB
View more database links
Registry Numbers Types Sources
2056095 Beilstein Registry Number ChemIDplus
56-53-1 CAS Registry Number ChemIDplus
56-53-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12877905 PubMed citation Europe PMC
21795073 PubMed citation Europe PMC
21852823 PubMed citation Europe PMC
24247716 PubMed citation Europe PMC
8832405 PubMed citation Europe PMC
Last Modified
22 February 2017