EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748110 - fantofarone

Default Structure
ChEBI IDCHEBI:748110
ChEBI Namefantofarone
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H38N2O5S
Net Charge0
Average Mass550.721
Monoisotopic Mass550.25014
SMILESCOc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H38N2O5S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3
InChIKeyITAMRBIZWGDOHW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
fantofarone (CHEBI:748110) is a dimethoxybenzene (CHEBI:51681)
INNs  Source
fantofaronaWHO MedNet
fantofaroneWHO MedNet
Synonyms  Source
SR 33557ChEMBL
SR-33557ChEMBL
Citations