CHEBI:31663 - Halcinonide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Halcinonide
ChEBI ID CHEBI:31663
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C24H32ClFO5
C24H32ClFO5
Net Charge 0
Average Mass 454.960
Monoisotopic Mass 454.192
InChI InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey MUQNGPZZQDCDFT-JNQJZLCISA-N
SMILES C(CCl)(=O)[C@]12[C@@]3([C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(CC5)=O)[H])[H])C
Roles Classification
Biological Role(s): SMO receptor agonist
An agonist that enhances the action of smoothened (SMO) receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Halcinonide (CHEBI:31663) has role SMO receptor agonist (CHEBI:131809)
Halcinonide (CHEBI:31663) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
alcinonide DrugCentral
halciderm DrugCentral
halcimat DrugCentral
Halcinonide KEGG COMPOUND
halog DrugCentral
Manual Xrefs Databases
4507 DrugCentral
D01308 KEGG DRUG
View more database links
Registry Number Type Source
3093-35-4 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
26658258 PubMed citation Europe PMC
Last Modified
22 February 2017