EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47114 - 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL

Default Structure
ChEBI IDCHEBI:47114
ChEBI Name2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL
Stars
DownloadsMolfile
FormulaC23H23Br2NO5
Net Charge0
Average Mass553.247
Monoisotopic Mass550.99430
SMILES[H]Oc1c([H])c([H])c(Oc2c(Br)c([H])c(C([H])([H])C([H])(O[H])O[H])c([H])c2Br)c([H])c1[C@@]([H])(O[H])N([H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C23H23Br2NO5/c24-18-10-15(12-21(28)29)11-19(25)22(18)31-16-6-7-20(27)17(13-16)23(30)26-9-8-14-4-2-1-3-5-14/h1-7,10-11,13,21,23,26-30H,8-9,12H2/t23-/m1/s1
InChIKeyKIRQJXNQGZAKGR-HSZRJFAPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL (CHEBI:47114) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOLPDBeChem
2-[3,5-dibromo-4-(4-hydroxy-3-{(R)-hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diolPDBeChem
Manual XrefsDatabases
442PDBeChem