EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34286 - 2-Hydroxybenzo[a]pyrene

ChEBI IDCHEBI:34286
ChEBI Name2-Hydroxybenzo[a]pyrene
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESOc1cc2ccc3cc4ccccc4c4ccc(c1)c2c34
InChIInChI=1S/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H
InChIKeyKAXJMEFTXJWMLE-UHFFFAOYSA-N
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)
2-Hydroxybenzo[a]pyrene (CHEBI:34286) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
2-Hydroxybenzo[a]pyreneKEGG COMPOUND
Manual XrefsDatabases
C14459KEGG COMPOUND
Registry NumbersSources
CAS:56892-30-9KEGG COMPOUND