loading...| Preferred Name |
diethylstilbestrol |
| Synonyms |
(E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol alpha,alpha'-diethyl-(E)-4,4'-stilbenediol trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol diethylstilbestrolum (E)-3,4-bis(4-hydroxyphenyl)-3-hexene dietilestilbestrol Distilbene 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol DES trans-Diethylstilboesterol diethylstilbestrol trans-Diethylstilbestrol Diethylstilbestrol 4,4'-dihydroxy-alpha,beta-diethylstilbene trans-Diethylstilbesterol |
| Definitions |
An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_41922 |
| charge |
0 |
| database_cross_reference |
PMID:9202463 PMID:21852823 Beilstein:2056095 PMID:31280197 Drug_Central:875 FooDB:FDB007498 PMID:29609831 HMDB:HMDB0014400 PMID:31283846 PMID:25934356 PMID:28461243 PMID:31259848 PMID:8832405 CAS:56-53-1 KEGG:D00577 PMID:30049842 PMID:31300300 Wikipedia:Diethylstilbestrol MeSH:D004054 PMID:30153466 PMID:29658110 PMID:24247716 KEGG:C07620 PMID:30758926 PDBeChem:DES PMID:30866048 DrugBank:DB00255 SNOMEDCT:396026002 PMID:31119342 PMID:31247589 PMID:16665969 PMID:30594671 PMID:15322263 PMID:31119346 PMID:19303142 PMID:12877905 PMID:30685453 PMID:29344720 PMID:21795073 NCIt:C433 |
| definition |
An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. |
| formula |
C18H20O2 |
| has_alternative_id |
CHEBI:41920 CHEBI:4531 |
| has_exact_synonym |
4,4'-(3E)-hex-3-ene-3,4-diyldiphenol Diethylstilbestrol |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
(E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol alpha,alpha'-diethyl-(E)-4,4'-stilbenediol trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol diethylstilbestrolum (E)-3,4-bis(4-hydroxyphenyl)-3-hexene dietilestilbestrol Distilbene DES trans-Diethylstilboesterol diethylstilbestrol trans-Diethylstilbestrol 4,4'-dihydroxy-alpha,beta-diethylstilbene trans-Diethylstilbesterol |
| has_role | |
| id |
CHEBI:41922 |
| in_subset | |
| 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 |
| label |
diethylstilbestrol |
| mass |
268.35020 |
| monoisotopicmass |
268.14633 |
| notation |
CHEBI:41922 |
| prefLabel |
diethylstilbestrol |
| smiles |
CCC(c1ccc(O)cc1)=C(\CC)c1ccc(O)cc1 |
| subClassOf |