EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:755898 - px-102

Default Structure
ChEBI IDCHEBI:755898
ChEBI Namepx-102
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H22Cl3NO4
Net Charge0
Average Mass554.857
Monoisotopic Mass553.06144
SMILESO=C(O)c1ccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1
InChIInChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
InChIKeyXBUXXJUEBFDQHD-NHCUHLMSSA-N
ChEBI Ontology
Outgoing Relation(s)
px-102 (CHEBI:755898) is a stilbenoid (CHEBI:26776)
Synonym  Source
Px-102ChEMBL
Citations