CHEBI:34531 - Alphaxolone

ChEBI IDCHEBI:34531
ChEBI NameAlphaxolone
Stars
Last Modified27 February 2025
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
InChIKeyDUHUCHOQIDJXAT-OLVMNOGESA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Alphaxolone (CHEBI:34531) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
AlphaxoloneKEGG COMPOUND
AlfaxaloneKEGG COMPOUND
alphaxaloneDrugCentral
alfaxoloneDrugCentral
alfadioneDrugCentral
UniProt Name  Source
3α-hydroxy-5α-pregnan-11,20-dioneUniProt
Manual XrefsDatabases
C13803KEGG COMPOUND
LSM-2922LINCS
133DrugCentral
1759VSDB
Registry NumbersSources
CAS:23930-19-0KEGG COMPOUND