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CHEBI:17263 - estrone
| Formula | C18H22O2 |
| Net Charge | 0 |
| Average Mass | 270.372 |
| Monoisotopic Mass | 270.16198 |
| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | 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. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| estrone (CHEBI:17263) has parent hydride estrane (CHEBI:23966) |
| estrone (CHEBI:17263) has role antineoplastic agent (CHEBI:35610) |
| estrone (CHEBI:17263) has role bone density conservation agent (CHEBI:50646) |
| estrone (CHEBI:17263) has role estrogen (CHEBI:50114) |
| estrone (CHEBI:17263) has role human metabolite (CHEBI:77746) |
| estrone (CHEBI:17263) has role mouse metabolite (CHEBI:75771) |
| estrone (CHEBI:17263) is a 17-oxo steroid (CHEBI:19168) |
| estrone (CHEBI:17263) is a 3-hydroxy steroid (CHEBI:36834) |
| estrone (CHEBI:17263) is a phenolic steroid (CHEBI:177917) |
| estrone (CHEBI:17263) is a phenols (CHEBI:33853) |
| Incoming Relation(s) |
| 15α-hydroxyestrone (CHEBI:87618) has functional parent estrone (CHEBI:17263) |
| 16α-hydroxyestrone (CHEBI:776) has functional parent estrone (CHEBI:17263) |
| 16β-hydroxyestrone (CHEBI:87628) has functional parent estrone (CHEBI:17263) |
| 2-hydroxyestrone (CHEBI:1156) has functional parent estrone (CHEBI:17263) |
| 2-methoxyestrone (CHEBI:1189) has functional parent estrone (CHEBI:17263) |
| 2-methoxyestrone 3-sulfate (CHEBI:1191) has functional parent estrone (CHEBI:17263) |
| 4-hydroxyestrone (CHEBI:87602) has functional parent estrone (CHEBI:17263) |
| 4-methoxyestrone (CHEBI:136972) has functional parent estrone (CHEBI:17263) |
| 6α-hydroxyestrone (CHEBI:87605) has functional parent estrone (CHEBI:17263) |
| 6β-hydroxyestrone (CHEBI:87626) has functional parent estrone (CHEBI:17263) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) has functional parent estrone (CHEBI:17263) |
| estrone 3-sulfate (CHEBI:17474) has functional parent estrone (CHEBI:17263) |
| estrone sodium sulfate (CHEBI:8389) has functional parent estrone (CHEBI:17263) |
| estropipate (CHEBI:4873) has functional parent estrone (CHEBI:17263) |
| IUPAC Name |
|---|
| 3-hydroxyestra-1,3,5(10)-trien-17-one |
| INN | Source |
|---|---|
| estrone | DrugBank |
| Synonyms | Source |
|---|---|
| Estrone | KEGG COMPOUND |
| 3-Hydroxy-1,3,5(10)-estratrien-17-one | KEGG COMPOUND |
| oestrone | NIST Chemistry WebBook |
| folliculin | NIST Chemistry WebBook |
| follicular hormone | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| estrone | UniProt |
| Citations |
|---|