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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Id | http://purl.obolibrary.org/obo/dinto_DB01357
http://purl.obolibrary.org/obo/dinto_DB01357
|
|---|---|
| Preferred Name | mestranol |
| Synonyms |
(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol
C21H26O2
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
mestranol
|
|---|---|
| prefLabel |
mestranol
|
| is metabolised by | |
| Definition |
The 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]
|
| modulates | |
| SMILES |
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3
|
| 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
|
| CASRN |
72-33-3
|
| prefixIRI |
obo2:dinto_DB01357
|
| Synonym |
(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol
C21H26O2
|
| binds | |
| InChIKey |
InChIKey=IMSSROKUHAOUJS-MJCUULBUSA-N
|
| subClassOf | |
| may interact with |
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|
| is substrate of | |
| type | |
| xref |
PubChem Compound:6291
PubChem Substance:46507679
ChEBI:6784
Wikipedia:http://en.wikipedia.org/wiki/Mestranol
PharmGKB:PA450388
ChemSpider:6054
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|
| activates | |
| has pharmacological target |
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