CHEBI:34831 - Melengestrol acetate

ChEBI IDCHEBI:34831
ChEBI NameMelengestrol acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H32O4
Net Charge0
Average Mass396.527
Monoisotopic Mass396.23006
SMILES[H][C@@]12C=C(C)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@](OC(C)=O)(C(C)=O)C(=C)C[C@@]21[H]
InChIInChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
InChIKeyUDKABVSQKJNZBH-DWNQPYOZSA-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)
Melengestrol acetate (CHEBI:34831) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
Melengestrol acetateKEGG COMPOUND
17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetateKEGG COMPOUND
17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dioneKEGG COMPOUND
Manual XrefsDatabases
C14642KEGG COMPOUND
D04900KEGG DRUG
Registry NumbersSources
CAS:2919-66-6KEGG COMPOUND