CHEBI:49327 - algestone acetophenide

Main ChEBI Ontology Automatic Xrefs
ChEBI Name algestone acetophenide
ChEBI ID CHEBI:49327
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49321
Supplier Information
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Formula C29H36O4
Net Charge 0
Average Mass 448.59374
InChI InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChIKey AHBKIEXBQNRDNL-FVCOMRFXSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@](C)(O[C@@]12C(C)=O)c1ccccc1
Roles Classification
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
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ChEBI Ontology
Outgoing algestone acetophenide (CHEBI:49327) has role anti-inflammatory drug (CHEBI:35472)
algestone acetophenide (CHEBI:49327) has role synthetic oral contraceptive (CHEBI:49326)
algestone acetophenide (CHEBI:49327) is a 16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168)
IUPAC Name
16α,17-[(1R)-1-phenylethane-1,1-diyldioxy]pregn-4-ene-3,20-dione
Synonym Source
Alphasone acetophenide ChemIDplus
Brand Name Source
Deladroxone KEGG DRUG
Database Link Database
D02809 KEGG DRUG
View more database links
Registry Number Type Source
24356-94-3 CAS Registry Number ChemIDplus
Last Modified
16 May 2008