CHEBI:53074 - diphenylcyclopropenone

ChEBI IDCHEBI:53074
ChEBI Namediphenylcyclopropenone
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DefinitionA cyclopropenone compound having phenyl substituents at the 2- and 3-positions.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H10O
Net Charge0
Average Mass206.244
Monoisotopic Mass206.07316
SMILESO=c1c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChIKeyHCIBTBXNLVOFER-UHFFFAOYSA-N
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
Applications:
photosensitizing agent  A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
diphenylcyclopropenone (CHEBI:53074) has role drug allergen (CHEBI:88188)
diphenylcyclopropenone (CHEBI:53074) has role hapten (CHEBI:59174)
diphenylcyclopropenone (CHEBI:53074) has role photosensitizing agent (CHEBI:47868)
diphenylcyclopropenone (CHEBI:53074) is a cyclopropenone (CHEBI:53075)
IUPAC Name 
2,3-diphenylcycloprop-2-en-1-one
Synonyms  Source
2,3-Diphenylcycloprop-2-en-1-oneChemIDplus
2,3-DiphenylcyclopropenoneChemIDplus
diphencyproneChEMBL
DiphencyproneChemIDplus
DiphenylcyclopenoneChEMBL
DiphenylcyclopropenoneChemIDplus
Manual XrefsDatabases
LSM-5625LINCS
Registry NumbersSources
Gmelin:409391Gmelin
Reaxys:608049Reaxys
CAS:886-38-4ChemIDplus
CAS:886-38-4NIST Chemistry WebBook
Citations