CHEBI:89642 - Gestrinone

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ChEBI Name Gestrinone
ChEBI ID CHEBI:89642
Stars This entity has been manually annotated by a third party.
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Formula C21H24O2
Net Charge 0
Average Mass 308.415
Monoisotopic Mass 308.17763
InChI InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
InChIKey BJJXHLWLUDYTGC-ANULTFPQSA-N
SMILES O[C@@]1([C@@]2([C@]([C@]3(C(C=C2)=C4C(CC3)=CC(=O)CC4)[H])(CC1)[H])CC)C#C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing Gestrinone (CHEBI:89642) is a oxo steroid (CHEBI:35789)
IUPAC Name
(10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one
Synonyms Sources
(17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one HMDB
13-Ethyl-17-hydroxy-18,19-Dinor-17a-pregna-4,9,11-trien-20-yn-3-one HMDB
13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-one HMDB
Dimetriose HMDB
dimetrose DrugCentral
Ethylnorgestrienone HMDB
Gestrigone HMDB
Gestrinona HMDB
Nemestran HMDB
Tridomose HMDB
Manual Xrefs Databases
1292 DrugCentral
Gestrinone Wikipedia
HMDB0002720 HMDB
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Registry Number Type Source
16320-04-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11076067 PubMed citation Europe PMC
15934041 PubMed citation Europe PMC
17707720 PubMed citation Europe PMC
Last Modified
22 February 2017