loading...| Preferred Name |
Diethylstilbestrol |
|
| Synonyms |
Diethylstilbestrol 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol diethylstilbestrol diethylstilbestrolum trans-Diethylstilboesterol (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol trans-Diethylstilbesterol dietilestilbestrol alpha,alpha'-diethyl-(E)-4,4'-stilbenediol 4,4'-dihydroxy-alpha,beta-diethylstilbene trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol trans-Diethylstilbestrol (E)-3,4-bis(4-hydroxyphenyl)-3-hexene DES Distilbene |
|
| 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An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.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:31300300 PMID:19303142 CAS:56-53-1 PMID:16665969 PMID:12877905 PMID:30049842 PMID:25934356 PMID:9202463 PMID:31280197 KEGG:D00577 Wikipedia:Diethylstilbestrol PMID:24247716 PMID:28461243 PMID:30685453 PMID:30594671 DrugBank:DB00255 Drug_Central:875 PMID:31283846 Beilstein:2056095 PMID:30866048 PMID:29344720 PMID:31259848 PMID:31247589 PMID:21795073 PMID:15322263 PMID:29609831 PMID:8832405 HMDB:HMDB0014400 PMID:30758926 PMID:31119346 PMID:31119342 FooDB:FDB007498 KEGG:C07620 PMID:30153466 PDBeChem:DES PMID:21852823 PMID:29658110 |
|
| formula |
C18H20O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_137626 http://purl.obolibrary.org/obo/CHEBI_49200 http://purl.obolibrary.org/obo/CHEBI_138880 http://purl.obolibrary.org/obo/CHEBI_138015 http://purl.obolibrary.org/obo/CHEBI_50903 http://purl.obolibrary.org/obo/CHEBI_38215 |
|
| has_alternative_id |
CHEBI:41920 CHEBI:4531 |
|
| has_exact_synonym |
Diethylstilbestrol 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
diethylstilbestrol diethylstilbestrolum trans-Diethylstilboesterol (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol trans-Diethylstilbesterol dietilestilbestrol alpha,alpha'-diethyl-(E)-4,4'-stilbenediol 4,4'-dihydroxy-alpha,beta-diethylstilbene trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol trans-Diethylstilbestrol (E)-3,4-bis(4-hydroxyphenyl)-3-hexene DES Distilbene |
|
| has_RxCUI |
3390 |
|
| 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 diethylstilbestrol |
|
| mass |
268.35020 |
|
| monoisotopicmass |
268.14633 |
|
| notation |
CHEBI:41922 |
|
| prefixIRI |
CHEBI:41922 |
|
| prefLabel |
Diethylstilbestrol |
|
| smiles |
CC\C(c1ccc(O)cc1)=C(\CC)c1ccc(O)cc1 |
|
| textual 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. |
|
| subClassOf |