CHEBI:31189 - Allylestrenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Allylestrenol
ChEBI ID CHEBI:31189
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32O
Net Charge 0
Average Mass 300.479
Monoisotopic Mass 300.245
InChI InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey ATXHVCQZZJYMCF-XUDSTZEESA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
ChEBI Ontology
Outgoing Allylestrenol (CHEBI:31189) has parent hydride estrane (CHEBI:23966)
Allylestrenol (CHEBI:31189) is a steroid (CHEBI:35341)
Synonyms Sources
Allylestrenol KEGG COMPOUND
gestanin DrugCentral
gestanol DrugCentral
gestanon DrugCentral
orageston DrugCentral
Manual Xrefs Databases
125 DrugCentral
C12811 KEGG COMPOUND
D01374 KEGG DRUG
View more database links
Registry Number Type Source
432-60-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017