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CHEBI:31663 - Halcinonide

ChEBI IDCHEBI:31663
ChEBI NameHalcinonide
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC24H32ClFO5
Net Charge0
Average Mass454.966
Monoisotopic Mass454.19223
SMILES[H][C@@]12C[C@@]3([H])OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=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
InChIKeyMUQNGPZZQDCDFT-JNQJZLCISA-N
Roles Classification
Biological Role:
SMO receptor agonist  An agonist that enhances the action of smoothened (SMO) receptor.
ChEBI Ontology
Outgoing Relation(s)
Halcinonide (CHEBI:31663) has role SMO receptor agonist (CHEBI:131809)
Halcinonide (CHEBI:31663) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
HalcinonideKEGG COMPOUND
halogDrugCentral
alcinonideDrugCentral
halcimatDrugCentral
halcidermDrugCentral
Manual XrefsDatabases
D01308KEGG DRUG
4507DrugCentral
Registry NumbersSources
CAS:3093-35-4KEGG COMPOUND
Citations