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CHEBI:6722 - megestrol

Default Structure
ChEBI IDCHEBI:6722
ChEBI Namemegestrol
Stars
DefinitionA 3-oxo Δ4-steroid that is pregna-4,6-diene-3,20-dione substituted by a methyl group at position 6 and a hydroxy group at position 17.
Last Modified2 October 2020
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12C=C(C)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O
InChIInChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1
InChIKeyVXIMPSPISRVBPZ-NWUMPJBXSA-N
Wikipedia
Roles Classification
Biological Role:
progestin  A synthetic progestogen.
Applications:
contraceptive drug  A chemical substance that prevents or reduces the probability of conception.
appetite enhancer  A drug which increases appetite.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
megestrol (CHEBI:6722) has role antineoplastic agent (CHEBI:35610)
megestrol (CHEBI:6722) has role appetite enhancer (CHEBI:50779)
megestrol (CHEBI:6722) has role contraceptive drug (CHEBI:49323)
megestrol (CHEBI:6722) has role progestin (CHEBI:59826)
megestrol (CHEBI:6722) has role synthetic oral contraceptive (CHEBI:49326)
megestrol (CHEBI:6722) is a 17α-hydroxy steroid (CHEBI:35342)
megestrol (CHEBI:6722) is a 20-oxo steroid (CHEBI:36885)
megestrol (CHEBI:6722) is a 3-oxo-Δ4 steroid (CHEBI:47909)
megestrol (CHEBI:6722) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
megestrol acetate (CHEBI:6723) has functional parent megestrol (CHEBI:6722)
IUPAC Name 
17-hydroxy-6-methylpregna-4,6-diene-3,20-dione
INNs  Source
megestrolChEBI
mégestrolChEBI
megestrolumChEBI
Synonyms  Source
17-Hydroxy-6-methylpregna-4,6-diene-3,20-dioneChemIDplus
MegestrolKEGG COMPOUND
megestroloChemIDplus
Brand Names  Source
MagestinDrugBank
MegeronDrugBank
NiagestinDrugBank
OvabanDrugBank
OvaridDrugBank
VolidanDrugBank
Manual XrefsDatabases
C07120KEGG COMPOUND
D08167KEGG DRUG
DB00351DrugBank
HMDB0014495HMDB
LMST02030177LIPID MAPS
MegestrolWikipedia
Registry NumbersSources
Reaxys:3164843Reaxys
CAS:3562-63-8ChemIDplus
Citations