EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:33090 - picene

Default Structure
ChEBI IDCHEBI:33090
ChEBI Namepicene
Stars
DefinitionAn ortho-fused polycyclic arene consisting of five fused benzene rings. It is obtained during the distillation of petroleum.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H14
Net Charge0
Average Mass278.354
Monoisotopic Mass278.10955
SMILESc1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21
InChIInChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
InChIKeyGBROPGWFBFCKAG-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)
picene (CHEBI:33090) is a ortho-fused polycyclic arene (CHEBI:35296)
IUPAC Name 
picene
Synonyms  Source
1,2:7,8-dibenzophenanthreneNIST Chemistry WebBook
3,4-benzchryseneChemIDplus
Benzo[a]chryseneKEGG COMPOUND
β,β-binaphthyleneetheneNIST Chemistry WebBook
Manual XrefsDatabases
C19500KEGG COMPOUND
PiceneWikipedia
Registry NumbersSources
Reaxys:1912414Reaxys
CAS:213-46-7ChemIDplus
CAS:213-46-7NIST Chemistry WebBook
CAS:213-46-7KEGG COMPOUND