EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:33081 - acenaphthylene

Default Structure
ChEBI IDCHEBI:33081
ChEBI Nameacenaphthylene
Stars
DefinitionA ortho- and peri-fused tricyclic hydrocarbon that occurs in coal tar.
Last Modified1 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H8
Net Charge0
Average Mass152.196
Monoisotopic Mass152.06260
SMILESC1=Cc2cccc3cccc1c23
InChIInChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChIKeyHXGDTGSAIMULJN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
acenaphthylene (CHEBI:33081) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
acenaphthylene (CHEBI:33081) is a ortho- and peri-fused tricyclic hydrocarbon (CHEBI:51120)
acenaphthylene (CHEBI:33081) is a acenaphthylenes (CHEBI:38033)
IUPAC Name 
acenaphthylene
Synonym  Source
cyclopenta[de]naphthaleneNIST Chemistry WebBook
Manual XrefsDatabases
AcenaphthyleneWikipedia
Registry NumbersSources
Gmelin:102938Gmelin
Reaxys:774092Reaxys
CAS:208-96-8ChemIDplus
CAS:208-96-8NIST Chemistry WebBook
Citations