17α-estradiol

chemical compound

Wikidata entity: Q4721888

C₁₈H₂₄O₂ (P274)




Quantities

P2067mass272.17763

P3780 active ingredient in ... Q60193321 (alfatradiol) alfatradiol
P233 canonical SMILES String CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O ???
P1889 different from ... Q60193321 (alfatradiol) alfatradiol
P8224 image of molecular model or crystal lattice model CommonsMedia http://commons.wikimedia.org/wiki/Special:FilePath/Alfatradiol%203D%20ball.png ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@H]2O ???
P1748 NCI Thesaurus ID String C81622 ???
P3489 pregnancy category ... Q28123617 (US pregnancy category C) US pregnancy category C
P3364 stereoisomer of ... Q422416 (17β-estradiol) 17β-estradiol
P3364 stereoisomer of ... Q81988384 (ent-estradiol) ent-estradiol
P3364 stereoisomer of ... Q105290526 (Dihydrofolliculin,(S)) Dihydrofolliculin,(S)
P3364 stereoisomer of ... Q105290527 ((8R,9R,13S,14R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol) (8R,9R,13S,14R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
P3364 stereoisomer of ... Q120355477 (8alpha-estra-1,3,5(10)-trien-3,17beta-diol) 8alpha-estra-1,3,5(10)-trien-3,17beta-diol
P279 subclass of ... Q177911 (steroid) steroid
P2868 subject has role ... Q1809112 (dermatologic drug) dermatologic drug
P2868 subject has role ... Q4639645 (5-alpha-reductase inhibitors) 5-alpha-reductase inhibitors
P2275 World Health Organisation international non-proprietary name Monolingualtext alfatradiol ???

External Ids
P231CAS Registry Number57-91-0
P683ChEBI ID17160
P592ChEMBL IDCHEMBL286452
P661ChemSpider ID61840
P8494DSSTOX compound identifierDTXCID702377
P3117DSSTox substance IDDTXSID8022377
P232EC number200-354-8
P2566ECHA Substance Infocard ID100.000.322
P1578Gmelin number2190991
P2671Google Knowledge Graph ID/g/11f4qfc17w
P2057Human Metabolome Database IDHMDB0000429
P234InChIInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
P235InChIKeyVOXZDWNPVJITMN-SFFUCWETSA-N
P665KEGG IDD07121
P2064KNApSAcK IDC00062242
P2063LIPID MAPS IDLMST02010029
P6689MassBank accession IDMSBNK-Athens_Univ-AU281701
P6689MassBank accession IDMSBNK-Athens_Univ-AU281702
P6689MassBank accession IDMSBNK-Athens_Univ-AU281703
P6689MassBank accession IDMSBNK-Athens_Univ-AU281704
P6689MassBank accession IDMSBNK-Athens_Univ-AU281705
P6689MassBank accession IDMSBNK-Athens_Univ-AU281706
P486MeSH descriptor IDC519808
P2840NSC number20293
P11199Probes And Drugs IDPD015587
P662PubChem CID68570
P1579Reaxys registry number2698044
P3345RxNorm CUI1926478
P10376ScienceDirect topic IDmedicine-and-dentistry/17alpha-estradiol
P4964SPLASHsplash10-00di-2950000000-9cd3211b8fd922d6f32b
P4964SPLASHsplash10-00p0-3970000000-ea6c869f7a3556f5fb55
P4964SPLASHsplash10-0a4i-8900000000-956bcdeac1a836c6b83c
P4964SPLASHsplash10-0a59-7900000000-0dae6df990a37c6c3fb3
P2877SureChEMBL ID121568
P8691SwissLipids IDSLM:000597781
P11089UniChem compound ID645935
P652UNII3VQ38D63M7

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