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CHEBI:6784 - mestranol
| Formula | C21H26O2 |
| Net Charge | 0 |
| Average Mass | 310.437 |
| Monoisotopic Mass | 310.19328 |
| SMILES | [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H] |
| 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 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Role: | xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. |
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mestranol (CHEBI:6784) has functional parent 17β-estradiol (CHEBI:16469) |
| mestranol (CHEBI:6784) has role prodrug (CHEBI:50266) |
| mestranol (CHEBI:6784) has role xenoestrogen (CHEBI:76988) |
| mestranol (CHEBI:6784) is a 17β-hydroxy steroid (CHEBI:35343) |
| mestranol (CHEBI:6784) is a aromatic ether (CHEBI:35618) |
| mestranol (CHEBI:6784) is a terminal acetylenic compound (CHEBI:73477) |
| IUPAC Name |
|---|
| 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17β-ol |
| INNs | Source |
|---|---|
| mestranol | KEGG DRUG |
| mestranolum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Mestranol | KEGG COMPOUND |
| 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17β-ol | NIST Chemistry WebBook |
| Ethynylestradiol 3-methyl ether | NIST Chemistry WebBook |
| 3-Methoxy-17α-ethynylestradiol | NIST Chemistry WebBook |
| (+)-17α-Ethynyl-17β-hydroxy-3-methoxy-1,3,5(10)-estratriene | NIST Chemistry WebBook |
| (+)-17α-Ethynyl-17β-hydroxy-3-methoxy-1,3,5(10)-oestratriene | NIST Chemistry WebBook |
| Citations |
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