CHEBI:232949 - iCRT5

ChEBI IDCHEBI:232949
ChEBI NameiCRT5
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC16H17NO5S2
Net Charge0
Average Mass367.448
Monoisotopic Mass367.05481
SMILES[H]/C(=C1/SC(=S)N(CCCC(=O)O)C1=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H17NO5S2/c1-21-11-6-5-10(8-12(11)22-2)9-13-15(20)17(16(23)24-13)7-3-4-14(18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19)/b13-9-
InChIKeyIJWKSBPTJQMUHJ-LCYFTJDESA-N
Roles Classification
Biological Role:
Wnt signalling inhibitor  A substance that inhibits any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
ChEBI Ontology
Outgoing Relation(s)
iCRT5 (CHEBI:232949) has role Wnt signalling inhibitor (CHEBI:78031)
iCRT5 (CHEBI:232949) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Citations