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CHEBI:142773 - estetrol
| Formula | C18H24O4 |
| Net Charge | 0 |
| Average Mass | 304.386 |
| Monoisotopic Mass | 304.16746 |
| SMILES | [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)[C@H](O)[C@@]21[H] |
| InChI | InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1 |
| InChIKey | AJIPIJNNOJSSQC-NYLIRDPKSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | Article (Heikkilä, J. and Adlercreutz, H. (1970) A method for the determination of urinary 15α-hydroxyestriol and estriol: Preliminary results of 15α-hydroxyestriol determinations in pregnancy urine. Journal of Steroid Biochemistry, 1(3), 243-253.) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. estrogen A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. estrogen receptor agonist An agonist at the estrogen receptor. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. |
| Application: | oral contraceptive A compound, usually hormonal, taken orally in order to block ovulation and prevent the occurrence of pregnancy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| estetrol (CHEBI:142773) has parent hydride estrane (CHEBI:23966) |
| estetrol (CHEBI:142773) has role estrogen (CHEBI:50114) |
| estetrol (CHEBI:142773) has role estrogen receptor agonist (CHEBI:63951) |
| estetrol (CHEBI:142773) has role human metabolite (CHEBI:77746) |
| estetrol (CHEBI:142773) has role human xenobiotic metabolite (CHEBI:76967) |
| estetrol (CHEBI:142773) has role oral contraceptive (CHEBI:49325) |
| estetrol (CHEBI:142773) is a 15α-hydroxy steroid (CHEBI:83147) |
| estetrol (CHEBI:142773) is a 16α-hydroxy steroid (CHEBI:16799) |
| estetrol (CHEBI:142773) is a 17β-hydroxy steroid (CHEBI:35343) |
| estetrol (CHEBI:142773) is a 3-hydroxy steroid (CHEBI:36834) |
| estetrol (CHEBI:142773) is a steroid hormone (CHEBI:26764) |
| IUPAC Name |
|---|
| estra-1(10),2,4-triene-3,15α,16α,17β-tetrol |
| INNs | Source |
|---|---|
| estetrol | WHO MedNet |
| estétrol | WHO MedNet |
| estetrol | WHO MedNet |
| estetrolum | WHO MedNet |
| Synonyms | Source |
|---|---|
| 15α-hydroxyestriol | ChEBI |
| 3,15α,16α,17β-tetrahydroxyestra-1,3,5(10)-triene | ChEBI |
| estra-1,3,5(10)-triene-3,15α,16α,17β-tetrol | PDBeChem |
| (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol | PDBeChem |
| (15α,16α,17β)-estra-1(10),2,4-triene-3,15,16,17-tetrol | ChEBI |
| oestetrol | ChEBI |
| Brand Name | Source |
|---|---|
| Donesta | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:15183-37-6 | ChemIDplus |
| Citations |
|---|