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estrone
Chemical compound
Also known as Aquest® · Kestrone® · oestrone · follicular hormone · folliculin · (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- Formula
- C₁₈H₂₂O₂
1
- C₁₈H₂₂O₂
- Mass
- 270.162 Da
1
- 270.162 Da
- Melting point
- 259°C
1
- 259°C
Overview
Chemistry
All data
115 statements · 51% with external sources · numbers in brackets are citations
- Canonical SMILES
- CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
1
- CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
- Defined daily dose
- 1 milligram route of administration: oral administration
- Isomeric SMILES
- C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CCC2=O
1
Sources- 1.Stated in Global Substance Registration SystemRetrieved 2018-02-14
- C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CCC2=O
- Subject has role
- estrogen
1
- carcinogen
1
Sources- 1.Stated in California Proposition 65 list of chemicalsoehha.ca.gov/chemicals/estroneRetrieved 2020-02-26
- primary metabolite
- estrogen
- Medical condition treated
- endometrial carcinoma approved by: United States Food and Drug Administration
1
Sources- 1.Stated in Inxight: Drugs Databasedrugs.ncats.io/drug/2DI9HA706ARetrieved 2018-11-02
- menopausal and postmenopausal disorder approved by: United States Food and Drug Administration
1
Sources- 1.Stated in Inxight: Drugs Databasedrugs.ncats.io/drug/2DI9HA706ARetrieved 2018-11-02
- endometrial carcinoma approved by: United States Food and Drug Administration
- Physically interacts with
- estrogen receptor 1 subject has role: agonist
1
- estrogen receptor 2 subject has role: agonist
1
- estrogen receptor 1 subject has role: agonist
On other databases
53 identifiers linking estrone across the web's reference databases
- ATC codeG03CC04
- CA PROP 65 IDestrone
- CAS Registry Number53-16-7
- CCDC Number1150270
- ChEBI ID17263
- ChEMBL IDCHEMBL1405
- ChemSpider ID5660
- CSD RefcodeESTRON11
- DrugBank IDDB00655
- DrugCentral ID3188
- DSSTOX compound identifierDTXCID402367
- DSSTox substance IDDTXSID4022367
- EC number200-164-5
- ECHA Substance Infocard ID100.000.150
- Encyclopædia Britannica Online IDscience/estrone
- Freebase ID/m/02dcg_
- Gmelin number542591
- GND ID4172470-7
- Gran Enciclopèdia Catalana IDestrona
- Gran Enciclopèdia Catalana ID (former scheme)0106805
- Guide to Pharmacology Ligand ID2818
- HSDB ID3324
- Human Metabolome Database IDHMDB0000145
- InChIInChI=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
- InChIKeyDNXHEGUUPJUMQT-CBZIJGRNSA-N
- KBpedia IDEstrone
- KEGG IDD00067
- KNApSAcK IDC00003663
- LIPID MAPS IDLMST02010004
- MassBank accession IDSM871901
- MeSH concept IDM0007798
- MeSH descriptor IDD004970
- MeSH tree codeD04.210.500.365.415.414
- Microsoft Academic ID (discontinued)2778656385
- NCI Thesaurus IDC484
- NDF-RT IDN0000020636
- NSC number9699
- OpenAlex IDC2778656385
- OSHA Occupational Chemical Database ID643
- PDB ligand IDJ3Z
- PDB structure ID3HM1
- Probes And Drugs IDPD002719
- PubChem CID5870
- Reaxys registry number1915077
- Römpp online IDRD-05-01840
- RxNorm CUI4103
- SPLASHsplash10-00di-0980000000-5b293db89a0f2efeb784
- SureChEMBL ID21702
- SwissLipids IDSLM:000001054
- UniChem compound ID547713
- UNII2DI9HA706A
- Wellcome Collection concept IDqe32pv7u
- WordNet 3.1 Synset ID14774961-n