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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_6784
http://purl.obolibrary.org/obo/CHEBI_6784
|
|---|---|
| Preferred Name | mestranol |
| Definitions |
A terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17.
|
| Synonyms |
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene
3-Methoxy-17alpha-ethynylestradiol
mestranolum
mestranol
Ethynylestradiol 3-methyl ether
17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol
Mestranol
17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. |
|---|---|
| label |
mestranol
|
| prefLabel |
mestranol
|
| database_cross_reference |
HMDB:HMDB0015446
KEGG:D00575
Reaxys:2625905
CAS:72-33-3
Wikipedia:Mestranol
PMID:12139060
PMID:16414683
DrugBank:DB01357
Drug_Central:1714
KEGG:C07618
LINCS:LSM-2693
Patent:US2666769
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|
| notation |
CHEBI:6784
|
| in_subset | |
| inchi |
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
|
| has_related_synonym |
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene
3-Methoxy-17alpha-ethynylestradiol
mestranolum
mestranol
Ethynylestradiol 3-methyl ether
17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol
See more
See less
|
| id |
CHEBI:6784
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C21H26O2
|
| subClassOf | |
| inchikey |
IMSSROKUHAOUJS-MJCUULBUSA-N
|
| mass |
310.42994
|
| monoisotopicmass |
310.19328
|
| has functional parent | |
| type | |
| smiles |
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC)ccc21
|
| has role | |
| has_exact_synonym |
Mestranol
17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol
|
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